CID 21001

4867-61-2

Structural Information

Molecular Formula

C₁₃H₁₁FN₂O₂

SMILES

C1=CC(=CC=C1NC(=O)OCC2=CC=NC=C2)F

InChI

InChI=1S/C13H11FN2O2/c14-11-1-3-12(4-2-11)16-13(17)18-9-10-5-7-15-8-6-10/h1-8H,9H2,(H,16,17)

InChIKey

LOWXZIMNVQRJIQ-UHFFFAOYSA-N

Compound name

pyridin-4-ylmethyl N-(4-fluorophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 246.08046 Da
Monoisotopic Mass: 2.0
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]+	247.087736	152.4
[M+Na]+	269.069678	159.5
[M-H]-	245.073184	156.4
[M+NH4]+	264.114283	167.6
[M+K]+	285.043618	156.1
[M+H-H2O]+	229.077720	142.8
[M+HCOO]-	291.078661	175.4
[M+CH3COO]-	305.094311	193.1
[M+Na-2H]-	267.055126	159.0
[M]+	246.07991142	151.5
[M]-	246.08100858	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe