CID 29000

2-chloro-4-hydroxy-5-methoxybenzaldehyde

Structural Information

Molecular Formula
C8H7ClO3
SMILES
COC1=C(C=C(C(=C1)C=O)Cl)O
InChI
InChI=1S/C8H7ClO3/c1-12-8-2-5(4-10)6(9)3-7(8)11/h2-4,11H,1H3
InChIKey
ZOKLABLCKDZYOP-UHFFFAOYSA-N
Compound name
2-chloro-4-hydroxy-5-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

186.00838 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.015656 131.5
[M+Na]+ 208.997598 142.7
[M-H]- 185.001104 134.9
[M+NH4]+ 204.042203 152.3
[M+K]+ 224.971538 139.3
[M+H-H2O]+ 169.005640 127.7
[M+HCOO]- 231.006581 151.3
[M+CH3COO]- 245.022231 178.2
[M+Na-2H]- 206.983046 137.5
[M]+ 186.00783142 136.0
[M]- 186.00892858 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

literature stripe

Patent stripe

patents stripe