CID 67079441

2-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid

Structural Information

Molecular Formula
C10H8F4O2
SMILES
CC(C1=CC(=C(C=C1)F)C(F)(F)F)C(=O)O
InChI
InChI=1S/C10H8F4O2/c1-5(9(15)16)6-2-3-8(11)7(4-6)10(12,13)14/h2-5H,1H3,(H,15,16)
InChIKey
CVHVVILLJIJEHS-UHFFFAOYSA-N
Compound name
2-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.04604 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05332 143.8
[M+Na]+ 259.03526 152.6
[M-H]- 235.03876 141.4
[M+NH4]+ 254.07986 161.0
[M+K]+ 275.00920 149.7
[M+H-H2O]+ 219.04330 135.4
[M+HCOO]- 281.04424 159.3
[M+CH3COO]- 295.05989 189.7
[M+Na-2H]- 257.02071 145.5
[M]+ 236.04549 138.4
[M]- 236.04659 138.4
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

patents stripe