CID 292598

(e)-4-(4-iodoanilino)-4-oxo-2-butenoic acid

Structural Information

Molecular Formula
C10H8INO3
SMILES
C1=CC(=CC=C1NC(=O)C=CC(=O)O)I
InChI
InChI=1S/C10H8INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-6H,(H,12,13)(H,14,15)
InChIKey
KSVGHDGDESFZOK-UHFFFAOYSA-N
Compound name
4-(4-iodoanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.9549 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.96218 159.7
[M+Na]+ 339.94412 162.0
[M+NH4]+ 334.98872 161.4
[M+K]+ 355.91806 160.2
[M-H]- 315.94762 153.6
[M+Na-2H]- 337.92957 151.0
[M]+ 316.95435 156.8
[M]- 316.95545 156.8
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.