CID 10242484

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

Structural Information

Molecular Formula
C10H9F3O2
SMILES
CC(C1=CC=C(C=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H9F3O2/c1-6(9(14)15)7-2-4-8(5-3-7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKey
RSLAPCSAZMQDSO-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

218.05547 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06275 141.6
[M+Na]+ 241.04469 149.5
[M-H]- 217.04819 140.3
[M+NH4]+ 236.08929 159.4
[M+K]+ 257.01863 147.0
[M+H-H2O]+ 201.05273 134.0
[M+HCOO]- 263.05367 158.3
[M+CH3COO]- 277.06932 185.6
[M+Na-2H]- 239.03014 144.7
[M]+ 218.05492 137.2
[M]- 218.05602 137.2
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