CID 528389

84388-68-1

Structural Information

Molecular Formula
C7H4Cl2O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)O)C=O
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H
InChIKey
RZVJTHXDHLQJIK-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

189.95883 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.966106 129.8
[M+Na]+ 212.948048 141.8
[M-H]- 188.951554 132.5
[M+NH4]+ 207.992653 150.8
[M+K]+ 228.921988 136.6
[M+H-H2O]+ 172.956090 127.2
[M+HCOO]- 234.957031 144.6
[M+CH3COO]- 248.972681 178.0
[M+Na-2H]- 210.933496 135.5
[M]+ 189.95828142 133.4
[M]- 189.95937858 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe