CID 81866

3-(hydrazinesulfonyl)benzoic acid

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NN)C(=O)O
InChI
InChI=1S/C7H8N2O4S/c8-9-14(12,13)6-3-1-2-5(4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
InChIKey
BQHAFKLOEIYFMY-UHFFFAOYSA-N
Compound name
3-(hydrazinesulfonyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

216.02048 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.027756 141.3
[M+Na]+ 239.009698 148.6
[M-H]- 215.013204 143.5
[M+NH4]+ 234.054303 158.3
[M+K]+ 254.983638 145.6
[M+H-H2O]+ 199.017740 135.3
[M+HCOO]- 261.018681 159.7
[M+CH3COO]- 275.034331 184.2
[M+Na-2H]- 236.995146 145.8
[M]+ 216.01993142 140.9
[M]- 216.02102858 140.9
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