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]+ 215.046946 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.