CID 66660

3,5-dichlorosalicylaldehyde

Structural Information

Molecular Formula

C₇H₄Cl₂O₂

SMILES

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

InChI

InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

InChIKey

FABVMBDCVAJXMB-UHFFFAOYSA-N

Compound name

3,5-dichloro-2-hydroxybenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 25
References: 1538
Patents: 189.95883 Da
Monoisotopic Mass: 2.8
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]+	190.96611	129.8
[M+Na]+	212.94805	141.8
[M-H]-	188.95155	132.5
[M+NH4]+	207.99265	150.8
[M+K]+	228.92199	136.6
[M+H-H2O]+	172.95609	127.2
[M+HCOO]-	234.95703	144.6
[M+CH3COO]-	248.97268	178.0
[M+Na-2H]-	210.93350	135.5
[M]+	189.95828	133.4
[M]-	189.95938	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe