CID 686486

36847-88-8

Structural Information

Molecular Formula
C10H8ClNO3
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C10H8ClNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/b5-4+
InChIKey
VGCOUGYIWJRLKT-SNAWJCMRSA-N
Compound name
(E)-4-(3-chloroanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01927 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.026546 145.1
[M+Na]+ 248.008488 152.9
[M-H]- 224.011994 147.6
[M+NH4]+ 243.053093 163.1
[M+K]+ 263.982428 148.5
[M+H-H2O]+ 208.016530 140.3
[M+HCOO]- 270.017471 163.7
[M+CH3COO]- 284.033121 185.5
[M+Na-2H]- 245.993936 149.0
[M]+ 225.01872142 146.0
[M]- 225.01981858 146.0
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

No patent data available for this compound.