CID 22139707

3-chloro-2-fluoro-6-methoxybenzaldehyde

Structural Information

Molecular Formula

C₈H₆ClFO₂

SMILES

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

InChI

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

InChIKey

MNUYBJWIKBRXSA-UHFFFAOYSA-N

Compound name

3-chloro-2-fluoro-6-methoxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
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