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 165.8
[M+Na]+ 316.07110 172.8
[M-H]- 292.07460 172.4
[M+NH4]+ 311.11570 178.7
[M+K]+ 332.04504 170.6
[M+H-H2O]+ 276.07914 157.8
[M+HCOO]- 338.08008 175.7
[M+CH3COO]- 352.09573 176.5
[M+Na-2H]- 314.05655 169.8
[M]+ 293.08133 166.2
[M]- 293.08243 166.2
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.