CID 12704281

4-(chlorosulfonyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H3ClO4S2
SMILES
C1=C(SC=C1S(=O)(=O)Cl)C(=O)O
InChI
InChI=1S/C5H3ClO4S2/c6-12(9,10)3-1-4(5(7)8)11-2-3/h1-2H,(H,7,8)
InChIKey
JHUDMONBNZNYHU-UHFFFAOYSA-N
Compound name
4-chlorosulfonylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.91612 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.92340 142.4
[M+Na]+ 248.90534 152.9
[M-H]- 224.90884 145.8
[M+NH4]+ 243.94994 163.0
[M+K]+ 264.87928 148.2
[M+H-H2O]+ 208.91338 139.5
[M+HCOO]- 270.91432 150.8
[M+CH3COO]- 284.92997 177.3
[M+Na-2H]- 246.89079 143.3
[M]+ 225.91557 147.3
[M]- 225.91667 147.3
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