CID 56947085

Refchem:99343

Structural Information

Molecular Formula
C6H5O3S
SMILES
C1=CC(=CC=[C]1)S(=O)(=O)O
InChI
InChI=1S/C6H5O3S/c7-10(8,9)6-4-2-1-3-5-6/h2-5H,(H,7,8,9)
InChIKey
DNYXWUAVBSJWPR-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

0
Patents

156.99594 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.00322 127.1
[M+Na]+ 179.98516 136.3
[M-H]- 155.98866 130.2
[M+NH4]+ 175.02976 147.8
[M+K]+ 195.95910 133.9
[M+H-H2O]+ 139.99320 122.5
[M+HCOO]- 201.99414 145.5
[M+CH3COO]- 216.00979 168.2
[M+Na-2H]- 177.97061 133.8
[M]+ 156.99539 128.7
[M]- 156.99649 128.7
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.