CID 86630394

5-chloro-4-hydroxy-2-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=CC(=C(C=C1C=O)Cl)O
InChI
InChI=1S/C8H7ClO3/c1-12-8-3-7(11)6(9)2-5(8)4-10/h2-4,11H,1H3
InChIKey
HICKLJCXVUXYRM-UHFFFAOYSA-N
Compound name
5-chloro-4-hydroxy-2-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

186.00838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01566 131.5
[M+Na]+ 208.99760 142.7
[M-H]- 185.00110 134.9
[M+NH4]+ 204.04220 152.3
[M+K]+ 224.97154 139.3
[M+H-H2O]+ 169.00564 127.7
[M+HCOO]- 231.00658 151.3
[M+CH3COO]- 245.02223 178.2
[M+Na-2H]- 206.98305 137.5
[M]+ 186.00783 136.0
[M]- 186.00893 136.0
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