CID 1715171

N-(2,4-difluorophenyl)maleamic acid

Structural Information

Molecular Formula
C10H7F2NO3
SMILES
C1=CC(=C(C=C1F)F)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C10H7F2NO3/c11-6-1-2-8(7(12)5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
InChIKey
DVBSHLGHHLTWPZ-ARJAWSKDSA-N
Compound name
(Z)-4-(2,4-difluoroanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.0394 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04668 143.9
[M+Na]+ 250.02862 151.9
[M-H]- 226.03212 143.9
[M+NH4]+ 245.07322 161.0
[M+K]+ 266.00256 148.7
[M+H-H2O]+ 210.03666 136.2
[M+HCOO]- 272.03760 164.8
[M+CH3COO]- 286.05325 188.4
[M+Na-2H]- 248.01407 146.3
[M]+ 227.03885 140.7
[M]- 227.03995 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe