CID 43810725

5-(chlorosulfonyl)-3-methylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H5ClO4S2
SMILES
CC1=C(SC(=C1)S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C6H5ClO4S2/c1-3-2-4(13(7,10)11)12-5(3)6(8)9/h2H,1H3,(H,8,9)
InChIKey
BCZVCWODZXDDOE-UHFFFAOYSA-N
Compound name
5-chlorosulfonyl-3-methylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.93178 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.93906 151.0
[M+Na]+ 262.92100 160.3
[M+NH4]+ 257.96560 158.0
[M+K]+ 278.89494 154.6
[M-H]- 238.92450 149.7
[M+Na-2H]- 260.90645 152.6
[M]+ 239.93123 152.9
[M]- 239.93233 152.9
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.