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]+ 226.02655 145.1
[M+Na]+ 248.00849 152.9
[M-H]- 224.01199 147.6
[M+NH4]+ 243.05309 163.1
[M+K]+ 263.98243 148.5
[M+H-H2O]+ 208.01653 140.3
[M+HCOO]- 270.01747 163.7
[M+CH3COO]- 284.03312 185.5
[M+Na-2H]- 245.99394 149.0
[M]+ 225.01872 146.0
[M]- 225.01982 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.