CID 14494073

3-fluorobenzoyl fluoride

Structural Information

Molecular Formula
C7H4F2O
SMILES
C1=CC(=CC(=C1)F)C(=O)F
InChI
InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H
InChIKey
VCGGTGFOOHOYMA-UHFFFAOYSA-N
Compound name
3-fluorobenzoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

142.02303 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03031 121.0
[M+Na]+ 165.01225 130.4
[M-H]- 141.01575 122.7
[M+NH4]+ 160.05685 142.7
[M+K]+ 180.98619 128.6
[M+H-H2O]+ 125.02029 114.3
[M+HCOO]- 187.02123 143.6
[M+CH3COO]- 201.03688 173.9
[M+Na-2H]- 162.99770 127.4
[M]+ 142.02248 118.4
[M]- 142.02358 118.4
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