PubChemLite - (2e)-2-((2-((e)-c-carboxy-n-methoxycarbonimidoyl)phenyl)methoxyimino)-2-(3-(trifluoromethyl)phenyl)acetic acid (C19H15F3N2O6)

Structural Information

Molecular Formula

SMILES

CO/N=C(\C1=CC=CC=C1CO/N=C(\C2=CC(=CC=C2)C(F)(F)F)/C(=O)O)/C(=O)O

InChI

InChI=1S/C19H15F3N2O6/c1-29-23-16(18(27)28)14-8-3-2-5-12(14)10-30-24-15(17(25)26)11-6-4-7-13(9-11)19(20,21)22/h2-9H,10H2,1H3,(H,25,26)(H,27,28)/b23-16+,24-15+

InChIKey

FNMBGDHYHINSHI-VDYLEKFBSA-N

Compound name

(2E)-2-[[2-[(E)-C-carboxy-N-methoxycarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	425.09551	191.5
[M+Na]+	447.07745	195.8
[M-H]-	423.08095	193.9
[M+NH4]+	442.12205	199.7
[M+K]+	463.05139	194.1
[M+H-H2O]+	407.08549	180.0
[M+HCOO]-	469.08643	209.4
[M+CH3COO]-	483.10208	228.9
[M+Na-2H]-	445.06290	191.5
[M]+	424.08768	190.8
[M]-	424.08878	190.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.09551

191.5

[M+Na]+

447.07745

195.8

[M-H]-

423.08095

193.9

[M+NH4]+

442.12205

199.7

[M+K]+

463.05139

194.1

[M+H-H2O]+

407.08549

180.0

[M+HCOO]-

469.08643

209.4

[M+CH3COO]-

483.10208

228.9

[M+Na-2H]-

445.06290

191.5

[M]+

424.08768

190.8

[M]-

424.08878

190.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2e)-2-((2-((e)-c-carboxy-n-methoxycarbonimidoyl)phenyl)methoxyimino)-2-(3-(trifluoromethyl)phenyl)acetic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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