CID 9947

2-fluoro-1-phenylethanone

Structural Information

Molecular Formula
C8H7FO
SMILES
C1=CC=C(C=C1)C(=O)CF
InChI
InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
YOMBUJAFGMOIGS-UHFFFAOYSA-N
Compound name
2-fluoro-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1666
Patents

138.0481 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05538 123.9
[M+Na]+ 161.03732 131.8
[M-H]- 137.04082 126.4
[M+NH4]+ 156.08192 145.4
[M+K]+ 177.01126 130.2
[M+H-H2O]+ 121.04536 117.7
[M+HCOO]- 183.04630 147.2
[M+CH3COO]- 197.06195 173.0
[M+Na-2H]- 159.02277 131.0
[M]+ 138.04755 122.4
[M]- 138.04865 122.4
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

patents stripe