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]+ 294.089156 165.8
[M+Na]+ 316.071098 172.8
[M-H]- 292.074604 172.4
[M+NH4]+ 311.115703 178.7
[M+K]+ 332.045038 170.6
[M+H-H2O]+ 276.079140 157.8
[M+HCOO]- 338.080081 175.7
[M+CH3COO]- 352.095731 176.5
[M+Na-2H]- 314.056546 169.8
[M]+ 293.08133142 166.2
[M]- 293.08242858 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.