CID 2168662

3-chloro-5-methoxy-4-propoxybenzaldehyde

Structural Information

Molecular Formula
C11H13ClO3
SMILES
CCCOC1=C(C=C(C=C1Cl)C=O)OC
InChI
InChI=1S/C11H13ClO3/c1-3-4-15-11-9(12)5-8(7-13)6-10(11)14-2/h5-7H,3-4H2,1-2H3
InChIKey
ZBXJCSOGXRWPJJ-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxy-4-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.05533 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.062606 145.0
[M+Na]+ 251.044548 155.4
[M-H]- 227.048054 149.2
[M+NH4]+ 246.089153 164.8
[M+K]+ 267.018488 152.1
[M+H-H2O]+ 211.052590 140.2
[M+HCOO]- 273.053531 165.3
[M+CH3COO]- 287.069181 189.8
[M+Na-2H]- 249.029996 149.8
[M]+ 228.05478142 152.5
[M]- 228.05587858 152.5
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

patents stripe