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
3
Annotation Hits

13
References

14720
Patents

173.01466 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 131.2
[M+Na]+ 196.003878 140.3
[M-H]- 172.007384 133.8
[M+NH4]+ 191.048483 150.8
[M+K]+ 211.977818 137.2
[M+H-H2O]+ 156.011920 126.1
[M+HCOO]- 218.012861 149.7
[M+CH3COO]- 232.028511 173.7
[M+Na-2H]- 193.989326 136.6
[M]+ 173.01411142 131.2
[M]- 173.01520858 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