CID 74376

3-fluorobenzoyl chloride

Structural Information

Molecular Formula

SMILES

C1=CC(=CC(=C1)F)C(=O)Cl

InChI

InChI=1S/C7H4ClFO/c8-7(10)5-2-1-3-6(9)4-5/h1-4H

InChIKey

SYVNVEGIRVXRQH-UHFFFAOYSA-N

Compound name

3-fluorobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3754
Patents: 157.99347 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.