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

99
Patents

154.04301 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.050286 127.4
[M+Na]+ 177.032228 135.4
[M-H]- 153.035734 129.9
[M+NH4]+ 172.076833 148.4
[M+K]+ 193.006168 134.3
[M+H-H2O]+ 137.040270 121.0
[M+HCOO]- 199.041211 151.0
[M+CH3COO]- 213.056861 174.3
[M+Na-2H]- 175.017676 134.4
[M]+ 154.04246142 127.3
[M]- 154.04355858 127.3
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