CID 96886

Bis(fluoroethyl)nitrosourea

Structural Information

Molecular Formula

C₅H₉F₂N₃O₂

SMILES

C(CF)NC(=O)N(CCF)N=O

InChI

InChI=1S/C5H9F2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)

InChIKey

GWRLHZIGYXCDKL-UHFFFAOYSA-N

Compound name

1,3-bis(2-fluoroethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 13
Patents: 181.06628 Da
Monoisotopic Mass: 0.7
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]+	182.07356	135.0
[M+Na]+	204.05550	140.4
[M+NH4]+	199.10010	139.9
[M+K]+	220.02944	137.1
[M-H]-	180.05900	132.2
[M+Na-2H]-	202.04095	137.2
[M]+	181.06573	134.2
[M]-	181.06683	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe