CID 528380

2,3-dichloro-4-hydroxybenzaldehyde

Structural Information

Molecular Formula
C7H4Cl2O2
SMILES
C1=CC(=C(C(=C1C=O)Cl)Cl)O
InChI
InChI=1S/C7H4Cl2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-3,11H
InChIKey
GEORDJYJYUGGSO-UHFFFAOYSA-N
Compound name
2,3-dichloro-4-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

189.95883 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe