CID 97553

33024-47-4

Structural Information

Molecular Formula

C₇H₁₂FN₃O₂S₂

SMILES

C1C(CSCS1)NC(=O)N(CCF)N=O

InChI

InChI=1S/C7H12FN3O2S2/c8-1-2-11(10-13)7(12)9-6-3-14-5-15-4-6/h6H,1-5H2,(H,9,12)

InChIKey

PRVVGOHCHSLWDE-UHFFFAOYSA-N

Compound name

3-(1,3-dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 253.03549 Da
Monoisotopic Mass: 1.5
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]+	254.04277	147.7
[M+Na]+	276.02471	152.4
[M+NH4]+	271.06931	154.8
[M+K]+	291.99865	145.3
[M-H]-	252.02821	148.9
[M+Na-2H]-	274.01016	150.8
[M]+	253.03494	149.0
[M]-	253.03604	149.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.