CID 67879

4-fluorobenzoyl chloride

Structural Information

Molecular Formula
C7H4ClFO
SMILES
C1=CC(=CC=C1C(=O)Cl)F
InChI
InChI=1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
InChIKey
CZKLEJHVLCMVQR-UHFFFAOYSA-N
Compound name
4-fluorobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

11533
Patents

157.99347 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.00075 123.8
[M+Na]+ 180.98269 133.9
[M-H]- 156.98619 126.6
[M+NH4]+ 176.02729 145.7
[M+K]+ 196.95663 130.5
[M+H-H2O]+ 140.99073 118.8
[M+HCOO]- 202.99167 142.9
[M+CH3COO]- 217.00732 175.0
[M+Na-2H]- 178.96814 130.4
[M]+ 157.99292 124.4
[M]- 157.99402 124.4
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