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

5
Patents

269.08188 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.089156 159.0
[M+Na]+ 292.071098 165.7
[M-H]- 268.074604 164.1
[M+NH4]+ 287.115703 173.3
[M+K]+ 308.045038 162.9
[M+H-H2O]+ 252.079140 151.2
[M+HCOO]- 314.080081 173.3
[M+CH3COO]- 328.095731 194.0
[M+Na-2H]- 290.056546 163.5
[M]+ 269.08133142 160.9
[M]- 269.08242858 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