CID 138990959

2309445-85-8

Structural Information

Molecular Formula

C₁₇H₁₆FNO₃

SMILES

C1C(CO1)(C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C17H16FNO3/c18-17(11-21-12-17)14-6-8-15(9-7-14)19-16(20)22-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)

InChIKey

IZNCCIOAJVKELV-UHFFFAOYSA-N

Compound name

benzyl N-[4-(3-fluorooxetan-3-yl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 301.11142 Da
Monoisotopic Mass: 2.6
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]+	302.118696	166.5
[M+Na]+	324.100638	171.2
[M-H]-	300.104144	175.0
[M+NH4]+	319.145243	174.9
[M+K]+	340.074578	172.5
[M+H-H2O]+	284.108680	152.1
[M+HCOO]-	346.109621	186.9
[M+CH3COO]-	360.125271	205.2
[M+Na-2H]-	322.086086	172.1
[M]+	301.11087142	174.6
[M]-	301.11196858	174.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.