CID 67999

Benzoyl fluoride

Structural Information

Molecular Formula
C7H5FO
SMILES
C1=CC=C(C=C1)C(=O)F
InChI
InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
HPMLGNIUXVXALD-UHFFFAOYSA-N
Compound name
benzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1521
Patents

124.03244 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03972 119.1
[M+Na]+ 147.02166 127.4
[M-H]- 123.02516 121.8
[M+NH4]+ 142.06626 141.2
[M+K]+ 162.99560 126.1
[M+H-H2O]+ 107.02970 113.1
[M+HCOO]- 169.03064 142.8
[M+CH3COO]- 183.04629 170.0
[M+Na-2H]- 145.00711 126.8
[M]+ 124.03189 117.3
[M]- 124.03299 117.3
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