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]+ 205.00845 142.0
[M+Na]+ 226.99039 151.5
[M-H]- 202.99389 145.3
[M+NH4]+ 222.03499 163.9
[M+K]+ 242.96433 147.6
[M+H-H2O]+ 186.99843 138.7
[M+HCOO]- 248.99937 154.4
[M+CH3COO]- 263.01502 178.8
[M+Na-2H]- 224.97584 143.2
[M]+ 204.00062 145.9
[M]- 204.00172 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.