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 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.