CID 12581955

Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate

Structural Information

Molecular Formula
C8H7ClO5S
SMILES
COC(=O)C1=C(C=CC(=C1)S(=O)(=O)Cl)O
InChI
InChI=1S/C8H7ClO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3
InChIKey
JCUQSWVHGVRETC-UHFFFAOYSA-N
Compound name
methyl 5-chlorosulfonyl-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

249.97028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.97756 144.4
[M+Na]+ 272.95950 154.6
[M-H]- 248.96300 147.9
[M+NH4]+ 268.00410 162.5
[M+K]+ 288.93344 151.0
[M+H-H2O]+ 232.96754 140.5
[M+HCOO]- 294.96848 157.1
[M+CH3COO]- 308.98413 184.0
[M+Na-2H]- 270.94495 147.9
[M]+ 249.96973 150.8
[M]- 249.97083 150.8
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