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 165.6
[M+Na]+ 314.05544 172.7
[M-H]- 290.05894 174.8
[M+NH4]+ 309.10004 179.1
[M+K]+ 330.02938 170.3
[M+H-H2O]+ 274.06348 157.8
[M+HCOO]- 336.06442 179.4
[M+CH3COO]- 350.08007 177.2
[M+Na-2H]- 312.04089 167.8
[M]+ 291.06567 166.5
[M]- 291.06677 166.5
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.