CID 96744

O-fluoroacetophenone

Structural Information

Molecular Formula
C8H7FO
SMILES
CC(=O)C1=CC=CC=C1F
InChI
InChI=1S/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey
QMATYTFXDIWACW-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1919
Patents

138.0481 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.055376 122.9
[M+Na]+ 161.037318 131.9
[M-H]- 137.040824 125.8
[M+NH4]+ 156.081923 144.9
[M+K]+ 177.011258 130.3
[M+H-H2O]+ 121.045360 117.1
[M+HCOO]- 183.046301 146.3
[M+CH3COO]- 197.061951 174.1
[M+Na-2H]- 159.022766 129.4
[M]+ 138.04755142 121.9
[M]- 138.04864858 121.9
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

No patent data available for this compound.