CID 122912

5-chloro-2-hydroxyisophthalaldehyde

Structural Information

Molecular Formula
C8H5ClO3
SMILES
C1=C(C=C(C(=C1C=O)O)C=O)Cl
InChI
InChI=1S/C8H5ClO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H
InChIKey
MYHXSDYZVOKOAT-UHFFFAOYSA-N
Compound name
5-chloro-2-hydroxybenzene-1,3-dicarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

83
Patents

183.99272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.999996 130.2
[M+Na]+ 206.981938 141.7
[M-H]- 182.985444 133.6
[M+NH4]+ 202.026543 151.0
[M+K]+ 222.955878 137.6
[M+H-H2O]+ 166.989980 126.5
[M+HCOO]- 228.990921 150.2
[M+CH3COO]- 243.006571 177.3
[M+Na-2H]- 204.967386 136.2
[M]+ 183.99217142 134.0
[M]- 183.99326858 134.0
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