CID 58854040

2-chloro-6-fluoro-4-methoxybenzaldehyde

Structural Information

Molecular Formula

C₈H₆ClFO₂

SMILES

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

InChI

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

InChIKey

FBZHEJHXIVNSKM-UHFFFAOYSA-N

Compound name

2-chloro-6-fluoro-4-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 188.00403 Da
Monoisotopic Mass: 2.1
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	132.4
[M+Na]+	210.99325	146.5
[M+NH4]+	206.03785	140.8
[M+K]+	226.96719	139.6
[M-H]-	186.99675	133.2
[M+Na-2H]-	208.97870	139.2
[M]+	188.00348	134.9
[M]-	188.00458	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe