CID 14944905

2-chloro-3-fluorobenzaldehyde

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

PIZVRLVKXWEMGO-UHFFFAOYSA-N

Compound name

2-chloro-3-fluorobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 401
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]+	159.000746	123.1
[M+Na]+	180.982688	134.4
[M-H]-	156.986194	126.2
[M+NH4]+	176.027293	145.5
[M+K]+	196.956628	130.6
[M+H-H2O]+	140.990730	118.4
[M+HCOO]-	202.991671	143.2
[M+CH3COO]-	217.007321	175.3
[M+Na-2H]-	178.968136	130.3
[M]+	157.99292142	124.7
[M]-	157.99401858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe