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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	292.073496	165.6
[M+Na]+	314.055438	172.7
[M-H]-	290.058944	174.8
[M+NH4]+	309.100043	179.1
[M+K]+	330.029378	170.3
[M+H-H2O]+	274.063480	157.8
[M+HCOO]-	336.064421	179.4
[M+CH3COO]-	350.080071	177.2
[M+Na-2H]-	312.040886	167.8
[M]+	291.06567142	166.5
[M]-	291.06676858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.