CID 28603570

2-chloro-6-(morpholin-4-yl)benzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₂ClNO₂

SMILES

C1COCCN1C2=C(C(=CC=C2)Cl)C=O

InChI

InChI=1S/C11H12ClNO2/c12-10-2-1-3-11(9(10)8-14)13-4-6-15-7-5-13/h1-3,8H,4-7H2

InChIKey

ZVRQUHIYZASEFQ-UHFFFAOYSA-N

Compound name

2-chloro-6-morpholin-4-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 225.05565 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.062926	147.1
[M+Na]+	248.044868	154.8
[M-H]-	224.048374	152.5
[M+NH4]+	243.089473	163.3
[M+K]+	264.018808	151.8
[M+H-H2O]+	208.052910	139.9
[M+HCOO]-	270.053851	161.8
[M+CH3COO]-	284.069501	185.9
[M+Na-2H]-	246.030316	152.6
[M]+	225.05510142	146.8
[M]-	225.05619858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe