CID 46065

2-fluoroethyl n-methyl-n-nitrosocarbamate

Structural Information

Molecular Formula

C₄H₇FN₂O₃

SMILES

CN(C(=O)OCCF)N=O

InChI

InChI=1S/C4H7FN2O3/c1-7(6-9)4(8)10-3-2-5/h2-3H2,1H3

InChIKey

XSUXEMCQFPVLQR-UHFFFAOYSA-N

Compound name

2-fluoroethyl N-methyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.04407 Da
Monoisotopic Mass: 0.2
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]+	151.05135	125.6
[M+Na]+	173.03329	132.9
[M-H]-	149.03679	127.7
[M+NH4]+	168.07789	147.4
[M+K]+	189.00723	135.7
[M+H-H2O]+	133.04133	118.9
[M+HCOO]-	195.04227	153.2
[M+CH3COO]-	209.05792	183.4
[M+Na-2H]-	171.01874	132.2
[M]+	150.04352	128.6
[M]-	150.04462	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.