CID 117760

26218-12-2

Structural Information

Molecular Formula

C₇H₈N₂O₅S

SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)NN

InChI

InChI=1S/C7H8N2O5S/c8-9-6-2-1-4(15(12,13)14)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)(H,12,13,14)

InChIKey

OGBHOBCGEADUOZ-UHFFFAOYSA-N

Compound name

2-hydrazinyl-5-sulfobenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 232.0154 Da
Monoisotopic Mass: -2.3
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]+	233.02268	145.9
[M+Na]+	255.00462	153.2
[M+NH4]+	250.04922	150.6
[M+K]+	270.97856	150.2
[M-H]-	231.00812	144.5
[M+Na-2H]-	252.99007	148.5
[M]+	232.01485	146.4
[M]-	232.01595	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe