CID 2735927

3,4-diaminobenzenesulfonamide

Structural Information

Molecular Formula
C6H9N3O2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)N)N
InChI
InChI=1S/C6H9N3O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,7-8H2,(H2,9,10,11)
InChIKey
QULXUUQWVHVHSM-UHFFFAOYSA-N
Compound name
3,4-diaminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

187.04155 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04883 135.1
[M+Na]+ 210.03077 143.7
[M-H]- 186.03427 138.0
[M+NH4]+ 205.07537 153.8
[M+K]+ 226.00471 140.0
[M+H-H2O]+ 170.03881 129.1
[M+HCOO]- 232.03975 155.3
[M+CH3COO]- 246.05540 184.5
[M+Na-2H]- 208.01622 138.9
[M]+ 187.04100 132.2
[M]- 187.04210 132.2
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