CID 528390

2,4-dichloro-6-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4Cl2O2
SMILES
C1=C(C=C(C(=C1O)C=O)Cl)Cl
InChI
InChI=1S/C7H4Cl2O2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,11H
InChIKey
XFYKHXQQNRESHU-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

189.95883 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe