CID 44977

Tl 821

Structural Information

Molecular Formula

C₅H₈ClFN₂O₃

SMILES

C(CCl)N(C(=O)OCCF)N=O

InChI

InChI=1S/C5H8ClFN2O3/c6-1-3-9(8-11)5(10)12-4-2-7/h1-4H2

InChIKey

KZPSRWCCBAMYKL-UHFFFAOYSA-N

Compound name

2-fluoroethyl N-(2-chloroethyl)-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.02075 Da
Monoisotopic Mass: 0.8
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]+	199.02803	134.7
[M+Na]+	221.00997	142.7
[M+NH4]+	216.05457	140.8
[M+K]+	236.98391	138.7
[M-H]-	197.01347	132.8
[M+Na-2H]-	218.99542	137.8
[M]+	198.02020	135.0
[M]-	198.02130	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.