CID 21706494

2-methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C11H11F3O2
SMILES
CC(C)(C1=CC=C(C=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C11H11F3O2/c1-10(2,9(15)16)7-3-5-8(6-4-7)11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKey
HJQVJNQZQTWNPZ-UHFFFAOYSA-N
Compound name
2-methyl-2-[4-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

232.07112 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07840 145.8
[M+Na]+ 255.06034 154.0
[M-H]- 231.06384 144.6
[M+NH4]+ 250.10494 163.2
[M+K]+ 271.03428 151.3
[M+H-H2O]+ 215.06838 138.6
[M+HCOO]- 277.06932 161.5
[M+CH3COO]- 291.08497 188.3
[M+Na-2H]- 253.04579 150.4
[M]+ 232.07057 141.8
[M]- 232.07167 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe