CID 23117896

3-chloro-4-[2-(morpholin-4-yl)ethoxy]benzaldehyde

Structural Information

Molecular Formula
C13H16ClNO3
SMILES
C1COCCN1CCOC2=C(C=C(C=C2)C=O)Cl
InChI
InChI=1S/C13H16ClNO3/c14-12-9-11(10-16)1-2-13(12)18-8-5-15-3-6-17-7-4-15/h1-2,9-10H,3-8H2
InChIKey
ABDHYHXISIILHC-UHFFFAOYSA-N
Compound name
3-chloro-4-(2-morpholin-4-ylethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.08188 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08916 159.0
[M+Na]+ 292.07110 165.7
[M-H]- 268.07460 164.1
[M+NH4]+ 287.11570 173.3
[M+K]+ 308.04504 162.9
[M+H-H2O]+ 252.07914 151.2
[M+HCOO]- 314.08008 173.3
[M+CH3COO]- 328.09573 194.0
[M+Na-2H]- 290.05655 163.5
[M]+ 269.08133 160.9
[M]- 269.08243 160.9
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

patents stripe