CID 102555154

6-(3-chlorophenyl)morpholin-3-one

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1C(OCC(=O)N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(13)6-14-9/h1-4,9H,5-6H2,(H,12,13)
InChIKey
CPTVUNGJWARTTL-UHFFFAOYSA-N
Compound name
6-(3-chlorophenyl)morpholin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

211.04001 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 143.0
[M+Na]+ 234.029228 150.7
[M-H]- 210.032734 147.2
[M+NH4]+ 229.073833 159.0
[M+K]+ 250.003168 147.0
[M+H-H2O]+ 194.037270 136.4
[M+HCOO]- 256.038211 156.6
[M+CH3COO]- 270.053861 180.4
[M+Na-2H]- 232.014676 148.6
[M]+ 211.03946142 140.6
[M]- 211.04055858 140.6
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