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]+ 158.003216 127.1
[M+Na]+ 179.985158 136.3
[M-H]- 155.988664 130.2
[M+NH4]+ 175.029763 147.8
[M+K]+ 195.959098 133.9
[M+H-H2O]+ 139.993200 122.5
[M+HCOO]- 201.994141 145.5
[M+CH3COO]- 216.009791 168.2
[M+Na-2H]- 177.970606 133.8
[M]+ 156.99539142 128.7
[M]- 156.99648858 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.