CID 2734839

3-chloro-5-fluorobenzaldehyde

Structural Information

Molecular Formula

SMILES

C1=C(C=C(C=C1F)Cl)C=O

InChI

InChI=1S/C7H4ClFO/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

InChIKey

QWBYWPJNPKGEBO-UHFFFAOYSA-N

Compound name

3-chloro-5-fluorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 298
Patents: 157.99347 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]+	159.00075	123.1
[M+Na]+	180.98269	134.4
[M-H]-	156.98619	126.2
[M+NH4]+	176.02729	145.5
[M+K]+	196.95663	130.6
[M+H-H2O]+	140.99073	118.4
[M+HCOO]-	202.99167	143.2
[M+CH3COO]-	217.00732	175.3
[M+Na-2H]-	178.96814	130.3
[M]+	157.99292	124.7
[M]-	157.99402	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe