CID 9829

Phenyl fluoroacetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

154.04301 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05029 130.0
[M+Na]+ 177.03223 141.9
[M+NH4]+ 172.07683 138.0
[M+K]+ 193.00617 135.8
[M-H]- 153.03573 130.4
[M+Na-2H]- 175.01768 136.8
[M]+ 154.04246 131.6
[M]- 154.04356 131.6
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