CID 135419

N-(2-fluoroethyl)-n-nitrosourea

Structural Information

Molecular Formula

C₃H₆FN₃O₂

SMILES

C(CF)N(C(=O)N)N=O

InChI

InChI=1S/C3H6FN3O2/c4-1-2-7(6-9)3(5)8/h1-2H2,(H2,5,8)

InChIKey

CVNSFWDAXAKBIM-UHFFFAOYSA-N

Compound name

1-(2-fluoroethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 135.0444 Da
Monoisotopic Mass: 0.3
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]+	136.05168	122.4
[M+Na]+	158.03362	129.2
[M-H]-	134.03712	124.0
[M+NH4]+	153.07822	144.1
[M+K]+	174.00756	131.3
[M+H-H2O]+	118.04166	115.4
[M+HCOO]-	180.04260	150.3
[M+CH3COO]-	194.05825	183.3
[M+Na-2H]-	156.01907	128.5
[M]+	135.04385	121.7
[M]-	135.04495	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe