CID 165834821

2-(4-chlorothiophen-2-yl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
CC(C)(C1=CC(=CS1)Cl)C(=O)O
InChI
InChI=1S/C8H9ClO2S/c1-8(2,7(10)11)6-3-5(9)4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKey
HGDFVIZHJMKRQU-UHFFFAOYSA-N
Compound name
2-(4-chlorothiophen-2-yl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.00117 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.008446 142.0
[M+Na]+ 226.990388 151.5
[M-H]- 202.993894 145.3
[M+NH4]+ 222.034993 163.9
[M+K]+ 242.964328 147.6
[M+H-H2O]+ 186.998430 138.7
[M+HCOO]- 248.999371 154.4
[M+CH3COO]- 263.015021 178.8
[M+Na-2H]- 224.975836 143.2
[M]+ 204.00062142 145.9
[M]- 204.00171858 145.9
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.