CID 103845907

950604-74-7

Structural Information

Molecular Formula
C8H9ClO2S
SMILES
CC(C)(C1=C(C=CS1)Cl)C(=O)O
InChI
InChI=1S/C8H9ClO2S/c1-8(2,7(10)11)6-5(9)3-4-12-6/h3-4H,1-2H3,(H,10,11)
InChIKey
NZVOVIPLRWRWAC-UHFFFAOYSA-N
Compound name
2-(3-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 143.7
[M+Na]+ 226.99039 154.2
[M+NH4]+ 222.03499 152.1
[M+K]+ 242.96433 149.1
[M-H]- 202.99389 143.8
[M+Na-2H]- 224.97584 147.5
[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.