CID 81120

6628-76-8

Structural Information

Molecular Formula

C₆H₇ClN₂O₃S

SMILES

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

InChI

InChI=1S/C6H7ClN2O3S/c7-5-3-4(13(10,11)12)1-2-6(5)9-8/h1-3,9H,8H2,(H,10,11,12)

InChIKey

SVSGKVLJUJOBNO-UHFFFAOYSA-N

Compound name

3-chloro-4-hydrazinylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 16
Patents: 221.98659 Da
Monoisotopic Mass: -1.7
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]+	222.993866	140.5
[M+Na]+	244.975808	150.0
[M-H]-	220.979314	143.3
[M+NH4]+	240.020413	158.8
[M+K]+	260.949748	145.1
[M+H-H2O]+	204.983850	136.2
[M+HCOO]-	266.984791	155.3
[M+CH3COO]-	281.000441	184.0
[M+Na-2H]-	242.961256	145.3
[M]+	221.98604142	142.0
[M]-	221.98713858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe