CID 18317097

2-(fluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H7FO2
SMILES
C1=CC=C(C(=C1)CF)C(=O)O
InChI
InChI=1S/C8H7FO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
ODZRWXLKQLEWTR-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

154.04301 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 129.9
[M+Na]+ 177.03223 141.7
[M+NH4]+ 172.07683 137.6
[M+K]+ 193.00617 136.1
[M-H]- 153.03573 129.8
[M+Na-2H]- 175.01768 135.9
[M]+ 154.04246 131.3
[M]- 154.04356 131.3
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