CID 66818

98-39-5

Structural Information

Molecular Formula
C6H7ClN2O3S
SMILES
C1=CC(=C(C=C1S(=O)(=O)O)NN)Cl
InChI
InChI=1S/C6H7ClN2O3S/c7-5-2-1-4(13(10,11)12)3-6(5)9-8/h1-3,9H,8H2,(H,10,11,12)
InChIKey
WUZVUAJOSITGDK-UHFFFAOYSA-N
Compound name
4-chloro-3-hydrazinylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

221.98659 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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

patents stripe