(2e)-2-methoxyimino-2-[2-[[(e)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid (C19H17F3N2O4)

Structural Information

Molecular Formula

SMILES

C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)O)/C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O4/c1-12(13-7-5-8-15(10-13)19(20,21)22)23-28-11-14-6-3-4-9-16(14)17(18(25)26)24-27-2/h3-10H,11H2,1-2H3,(H,25,26)/b23-12+,24-17+

InChIKey

ISZQNKFXNXQTTF-NACSPRHISA-N

Compound name

(2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]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]+	395.121316	188.7
[M+Na]+	417.103258	193.9
[M-H]-	393.106764	192.4
[M+NH4]+	412.147863	199.3
[M+K]+	433.077198	191.3
[M+H-H2O]+	377.111300	177.0
[M+HCOO]-	439.112241	208.4
[M+CH3COO]-	453.127891	226.6
[M+Na-2H]-	415.088706	189.6
[M]+	394.11349142	188.3
[M]-	394.11458858	188.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.121316

188.7

[M+Na]+

417.103258

193.9

[M-H]-

393.106764

192.4

[M+NH4]+

412.147863

199.3

[M+K]+

433.077198

191.3

[M+H-H2O]+

377.111300

177.0

[M+HCOO]-

439.112241

208.4

[M+CH3COO]-

453.127891

226.6

[M+Na-2H]-

415.088706

189.6

[M]+

394.11349142

188.3

[M]-

394.11458858

188.3

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

(2e)-2-methoxyimino-2-[2-[[(e)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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