CID 8479

Sulfanilic acid

Structural Information

Molecular Formula
C6H7NO3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)O
InChI
InChI=1S/C6H7NO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
InChIKey
HVBSAKJJOYLTQU-UHFFFAOYSA-N
Compound name
4-aminobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

223
References

54820
Patents

173.01466 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 131.2
[M+Na]+ 196.00388 140.3
[M-H]- 172.00738 133.8
[M+NH4]+ 191.04848 150.8
[M+K]+ 211.97782 137.2
[M+H-H2O]+ 156.01192 126.1
[M+HCOO]- 218.01286 149.7
[M+CH3COO]- 232.02851 173.7
[M+Na-2H]- 193.98933 136.6
[M]+ 173.01411 131.2
[M]- 173.01521 131.2
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