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]+ 229.06261 145.0
[M+Na]+ 251.04455 155.4
[M-H]- 227.04805 149.2
[M+NH4]+ 246.08915 164.8
[M+K]+ 267.01849 152.1
[M+H-H2O]+ 211.05259 140.2
[M+HCOO]- 273.05353 165.3
[M+CH3COO]- 287.06918 189.8
[M+Na-2H]- 249.03000 149.8
[M]+ 228.05478 152.5
[M]- 228.05588 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