CID 131047072

2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid

Structural Information

Molecular Formula
C9H9F3O2S
SMILES
CC(C)(C1=CC=C(S1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H9F3O2S/c1-8(2,7(13)14)5-3-4-6(15-5)9(10,11)12/h3-4H,1-2H3,(H,13,14)
InChIKey
MLWHMDCYFOWRDR-UHFFFAOYSA-N
Compound name
2-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.02754 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03482 157.6
[M+Na]+ 261.01676 163.4
[M+NH4]+ 256.06136 162.3
[M+K]+ 276.99070 160.1
[M-H]- 237.02026 152.4
[M+Na-2H]- 259.00221 158.2
[M]+ 238.02699 157.0
[M]- 238.02809 157.0
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.