CID 67312

3-hydrazinylbenzenesulfonic acid

Structural Information

Molecular Formula
C6H8N2O3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)NN
InChI
InChI=1S/C6H8N2O3S/c7-8-5-2-1-3-6(4-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)
InChIKey
ZDGHHRPKFCVOJL-UHFFFAOYSA-N
Compound name
3-hydrazinylbenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

188.02556 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.032836 134.5
[M+Na]+ 211.014778 142.6
[M-H]- 187.018284 136.9
[M+NH4]+ 206.059383 153.0
[M+K]+ 226.988718 139.3
[M+H-H2O]+ 171.022820 128.8
[M+HCOO]- 233.023761 153.9
[M+CH3COO]- 247.039411 178.9
[M+Na-2H]- 209.000226 140.4
[M]+ 188.02501142 133.7
[M]- 188.02610858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe