CID 118805191

2243512-32-3

Structural Information

Molecular Formula

C₇H₈N₂O₂S

SMILES

C1=CC(=C(C=C1NN)S)C(=O)O

InChI

InChI=1S/C7H8N2O2S/c8-9-4-1-2-5(7(10)11)6(12)3-4/h1-3,9,12H,8H2,(H,10,11)

InChIKey

QPYQDDSDWSBNBH-UHFFFAOYSA-N

Compound name

4-hydrazinyl-2-sulfanylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.03065 Da
Monoisotopic Mass: -1.1
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]+	185.03793	136.2
[M+Na]+	207.01987	145.9
[M+NH4]+	202.06447	143.9
[M+K]+	222.99381	139.9
[M-H]-	183.02337	138.1
[M+Na-2H]-	205.00532	141.1
[M]+	184.03010	138.3
[M]-	184.03120	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.