CID 718097

459152-06-8

Structural Information

Molecular Formula
C15H14ClNO3
SMILES
C1COCCN1C(=O)C2=CC=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C15H14ClNO3/c16-12-4-2-1-3-11(12)13-5-6-14(20-13)15(18)17-7-9-19-10-8-17/h1-6H,7-10H2
InChIKey
YUCKZTMTOSCUNH-UHFFFAOYSA-N
Compound name
[5-(2-chlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.06622 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07350 163.7
[M+Na]+ 314.05544 178.1
[M+NH4]+ 309.10004 172.0
[M+K]+ 330.02938 173.2
[M-H]- 290.05894 171.1
[M+Na-2H]- 312.04089 171.0
[M]+ 291.06567 168.2
[M]- 291.06677 168.2
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.