CID 54143325

2,4-dichloro-3-fluorobenzaldehyde

Structural Information

Molecular Formula

C₇H₃Cl₂FO

SMILES

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

InChI

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

InChIKey

SABAFIAZCVXLNN-UHFFFAOYSA-N

Compound name

2,4-dichloro-3-fluorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	192.96178	128.3
[M+Na]+	214.94372	140.8
[M-H]-	190.94722	131.0
[M+NH4]+	209.98832	149.9
[M+K]+	230.91766	135.5
[M+H-H2O]+	174.95176	124.5
[M+HCOO]-	236.95270	143.3
[M+CH3COO]-	250.96835	181.2
[M+Na-2H]-	212.92917	134.0
[M]+	191.95395	131.3
[M]-	191.95505	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.