CID 83409594

477535-42-5

Structural Information

Molecular Formula

C₇H₃Cl₂FO

SMILES

C1=C(C=C(C(=C1C=O)F)Cl)Cl

InChI

InChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H

InChIKey

BJQXAFWKFUOOMO-UHFFFAOYSA-N

Compound name

3,5-dichloro-2-fluorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 191.9545 Da
Monoisotopic Mass: 2.7
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]+	192.961776	128.3
[M+Na]+	214.943718	140.8
[M-H]-	190.947224	131.0
[M+NH4]+	209.988323	149.9
[M+K]+	230.917658	135.5
[M+H-H2O]+	174.951760	124.5
[M+HCOO]-	236.952701	143.3
[M+CH3COO]-	250.968351	181.2
[M+Na-2H]-	212.929166	134.0
[M]+	191.95395142	131.3
[M]-	191.95504858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe