CID 345056

4-aminobenzenesulfinic acid

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C1=CC(=CC=C1N)S(=O)O
InChI
InChI=1S/C6H7NO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,7H2,(H,8,9)
InChIKey
YSEBWPQBEDKBBV-UHFFFAOYSA-N
Compound name
4-aminobenzenesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

157.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 127.8
[M+Na]+ 180.00896 136.1
[M-H]- 156.01246 130.3
[M+NH4]+ 175.05356 148.1
[M+K]+ 195.98290 133.2
[M+H-H2O]+ 140.01700 122.5
[M+HCOO]- 202.01794 146.4
[M+CH3COO]- 216.03359 172.9
[M+Na-2H]- 177.99441 131.2
[M]+ 157.01919 127.0
[M]- 157.02029 127.0
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

No patent data available for this compound.