CID 2737591

3-fluoro-4-(trifluoromethyl)phenylacetic acid

Structural Information

Molecular Formula
C9H6F4O2
SMILES
C1=CC(=C(C=C1CC(=O)O)F)C(F)(F)F
InChI
InChI=1S/C9H6F4O2/c10-7-3-5(4-8(14)15)1-2-6(7)9(11,12)13/h1-3H,4H2,(H,14,15)
InChIKey
ZFOWDXKJQNNLMW-UHFFFAOYSA-N
Compound name
2-[3-fluoro-4-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

222.0304 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03768 152.9
[M+Na]+ 245.01962 160.4
[M+NH4]+ 240.06422 156.8
[M+K]+ 260.99356 156.2
[M-H]- 221.02312 147.7
[M+Na-2H]- 243.00507 154.9
[M]+ 222.02985 152.1
[M]- 222.03095 152.1
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

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