CID 14668531

4-(chlorosulfonyl)-2-hydroxybenzoic acid

Structural Information

Molecular Formula
C7H5ClO5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)O)C(=O)O
InChI
InChI=1S/C7H5ClO5S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
InChIKey
JVXZKJYMVWASCR-UHFFFAOYSA-N
Compound name
4-chlorosulfonyl-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

235.95462 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.96190 140.0
[M+Na]+ 258.94384 150.1
[M-H]- 234.94734 142.3
[M+NH4]+ 253.98844 157.9
[M+K]+ 274.91778 145.9
[M+H-H2O]+ 218.95188 136.6
[M+HCOO]- 280.95282 151.5
[M+CH3COO]- 294.96847 179.3
[M+Na-2H]- 256.92929 143.6
[M]+ 235.95407 144.3
[M]- 235.95517 144.3
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

patents stripe