CID 2168573

3-chloro-5-ethoxy-4-methoxybenzaldehyde

Structural Information

Molecular Formula
C10H11ClO3
SMILES
CCOC1=C(C(=CC(=C1)C=O)Cl)OC
InChI
InChI=1S/C10H11ClO3/c1-3-14-9-5-7(6-12)4-8(11)10(9)13-2/h4-6H,3H2,1-2H3
InChIKey
KBTYBYHNPJXGES-UHFFFAOYSA-N
Compound name
3-chloro-5-ethoxy-4-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.03967 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04695 141.0
[M+Na]+ 237.02889 155.5
[M+NH4]+ 232.07349 149.4
[M+K]+ 253.00283 148.4
[M-H]- 213.03239 142.9
[M+Na-2H]- 235.01434 147.7
[M]+ 214.03912 143.9
[M]- 214.04022 143.9
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.