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]+ 215.04695 140.2
[M+Na]+ 237.02889 151.0
[M-H]- 213.03239 144.7
[M+NH4]+ 232.07349 160.6
[M+K]+ 253.00283 148.0
[M+H-H2O]+ 197.03693 135.7
[M+HCOO]- 259.03787 160.9
[M+CH3COO]- 273.05352 186.8
[M+Na-2H]- 235.01434 145.6
[M]+ 214.03912 147.4
[M]- 214.04022 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.