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

146
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 127.2
[M+Na]+ 177.03223 135.6
[M-H]- 153.03573 128.6
[M+NH4]+ 172.07683 147.6
[M+K]+ 193.00617 133.5
[M+H-H2O]+ 137.04027 121.2
[M+HCOO]- 199.04121 149.2
[M+CH3COO]- 213.05686 173.4
[M+Na-2H]- 175.01768 133.0
[M]+ 154.04246 125.6
[M]- 154.04356 125.6
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