CID 3078755

122438-02-2

Structural Information

Molecular Formula
C15H16ClNO3
SMILES
CC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1N3CCOCC3
InChI
InChI=1S/C15H16ClNO3/c1-10(18)13-9-11-8-12(16)2-3-14(11)20-15(13)17-4-6-19-7-5-17/h2-3,8-9,15H,4-7H2,1H3
InChIKey
GBRJDRVCPKCMBI-UHFFFAOYSA-N
Compound name
1-(6-chloro-2-morpholin-4-yl-2H-chromen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08188 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08916 164.4
[M+Na]+ 316.07110 179.2
[M+NH4]+ 311.11570 173.1
[M+K]+ 332.04504 172.3
[M-H]- 292.07460 171.0
[M+Na-2H]- 314.05655 169.9
[M]+ 293.08133 168.8
[M]- 293.08243 168.8
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.