CID 22100460

5-fluoro-2-methoxybenzoyl chloride

Structural Information

Molecular Formula

C₈H₆ClFO₂

SMILES

COC1=C(C=C(C=C1)F)C(=O)Cl

InChI

InChI=1S/C8H6ClFO2/c1-12-7-3-2-5(10)4-6(7)8(9)11/h2-4H,1H3

InChIKey

HYILYIULOHATGI-UHFFFAOYSA-N

Compound name

5-fluoro-2-methoxybenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 188.00403 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]+	189.01131	132.7
[M+Na]+	210.99325	146.2
[M+NH4]+	206.03785	141.0
[M+K]+	226.96719	139.8
[M-H]-	186.99675	133.3
[M+Na-2H]-	208.97870	139.4
[M]+	188.00348	135.0
[M]-	188.00458	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe