CID 4962514

2-chloro-1-(morpholin-4-yl)-2-phenylethan-1-one

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
C1COCCN1C(=O)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C12H14ClNO2/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h1-5,11H,6-9H2
InChIKey
FCAFIWSACLLPGG-UHFFFAOYSA-N
Compound name
2-chloro-1-morpholin-4-yl-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

239.0713 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 151.8
[M+Na]+ 262.06052 156.7
[M-H]- 238.06402 156.5
[M+NH4]+ 257.10512 166.7
[M+K]+ 278.03446 154.4
[M+H-H2O]+ 222.06856 144.3
[M+HCOO]- 284.06950 164.3
[M+CH3COO]- 298.08515 187.7
[M+Na-2H]- 260.04597 155.8
[M]+ 239.07075 149.9
[M]- 239.07185 149.9
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

No patent data available for this compound.