CID 75481061

2-chloro-4,5-dimethylthiophene-3-carboxylic acid

Structural Information

Molecular Formula
C7H7ClO2S
SMILES
CC1=C(SC(=C1C(=O)O)Cl)C
InChI
InChI=1S/C7H7ClO2S/c1-3-4(2)11-6(8)5(3)7(9)10/h1-2H3,(H,9,10)
InChIKey
CGOUQQNIVWWNIF-UHFFFAOYSA-N
Compound name
2-chloro-4,5-dimethylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.98553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.99281 137.7
[M+Na]+ 212.97475 149.5
[M+NH4]+ 208.01935 146.5
[M+K]+ 228.94869 143.8
[M-H]- 188.97825 138.6
[M+Na-2H]- 210.96020 141.4
[M]+ 189.98498 140.3
[M]- 189.98608 140.3
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

No patent data available for this compound.