CID 684076

4'-iodosuccinanilic acid

Structural Information

Molecular Formula

C₁₀H₁₀INO₃

SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)O)I

InChI

InChI=1S/C10H10INO3/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChIKey

UEWAGINHLGZFAM-UHFFFAOYSA-N

Compound name

4-(4-iodoanilino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 4
Patents: 318.97055 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

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]+	319.97783	160.1
[M+Na]+	341.95977	159.2
[M-H]-	317.96327	155.3
[M+NH4]+	337.00437	172.6
[M+K]+	357.93371	163.0
[M+H-H2O]+	301.96781	150.1
[M+HCOO]-	363.96875	177.3
[M+CH3COO]-	377.98440	194.3
[M+Na-2H]-	339.94522	151.2
[M]+	318.97000	157.0
[M]-	318.97110	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe