CID 225451

4-(2-chlorobenzoyl)-morpholine

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1COCCN1C(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H12ClNO2/c12-10-4-2-1-3-9(10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChIKey
ZRGHSGNYLSCFJY-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

48
Patents

225.05565 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.2
[M+Na]+ 248.04487 153.8
[M-H]- 224.04837 152.4
[M+NH4]+ 243.08947 163.1
[M+K]+ 264.01881 151.3
[M+H-H2O]+ 208.05291 140.0
[M+HCOO]- 270.05385 161.0
[M+CH3COO]- 284.06950 185.0
[M+Na-2H]- 246.03032 152.3
[M]+ 225.05510 145.9
[M]- 225.05620 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe