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

9
Patents

236.04604 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.053316 143.8
[M+Na]+ 259.035258 152.6
[M-H]- 235.038764 141.4
[M+NH4]+ 254.079863 161.0
[M+K]+ 275.009198 149.7
[M+H-H2O]+ 219.043300 135.4
[M+HCOO]- 281.044241 159.3
[M+CH3COO]- 295.059891 189.7
[M+Na-2H]- 257.020706 145.5
[M]+ 236.04549142 138.4
[M]- 236.04658858 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