CID 10081983

2-(chloromethyl)-4,6-dimethoxybenzaldehyde

Structural Information

Molecular Formula
C10H11ClO3
SMILES
COC1=CC(=C(C(=C1)OC)C=O)CCl
InChI
InChI=1S/C10H11ClO3/c1-13-8-3-7(5-11)9(6-12)10(4-8)14-2/h3-4,6H,5H2,1-2H3
InChIKey
CWVSEGISKNEBPD-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,6-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

214.03967 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.046946 140.2
[M+Na]+ 237.028888 151.0
[M-H]- 213.032394 144.7
[M+NH4]+ 232.073493 160.6
[M+K]+ 253.002828 148.0
[M+H-H2O]+ 197.036930 135.7
[M+HCOO]- 259.037871 160.9
[M+CH3COO]- 273.053521 186.8
[M+Na-2H]- 235.014336 145.6
[M]+ 214.03912142 147.4
[M]- 214.04021858 147.4
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