CID 8474

Metanilic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

13
References

12633
Patents

173.01466 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02194 132.6
[M+Na]+ 196.00388 143.1
[M+NH4]+ 191.04848 140.1
[M+K]+ 211.97782 137.4
[M-H]- 172.00738 133.2
[M+Na-2H]- 193.98933 137.9
[M]+ 173.01411 134.5
[M]- 173.01521 134.5
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