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	191.2
[M+Na]+	447.07745	196.2
[M+NH4]+	442.12205	191.9
[M+K]+	463.05139	194.3
[M-H]-	423.08095	187.3
[M+Na-2H]-	445.06290	193.3
[M]+	424.08768	190.0
[M]-	424.08878	190.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.09551

191.2

[M+Na]+

447.07745

196.2

[M+NH4]+

442.12205

191.9

[M+K]+

463.05139

194.3

[M-H]-

423.08095

187.3

[M+Na-2H]-

445.06290

193.3

[M]+

424.08768

190.0

[M]-

424.08878

190.0

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

Literature stripe

Patent stripe