CID 97301

32319-90-7

Structural Information

Molecular Formula
C8H14FN3O2S
SMILES
C1CSCCC1NC(=O)N(CCF)N=O
InChI
InChI=1S/C8H14FN3O2S/c9-3-4-12(11-14)8(13)10-7-1-5-15-6-2-7/h7H,1-6H2,(H,10,13)
InChIKey
RASQWFNMYUIFFE-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-1-nitroso-3-(thian-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.07907 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08635 148.5
[M+Na]+ 258.06829 151.4
[M-H]- 234.07179 152.1
[M+NH4]+ 253.11289 166.3
[M+K]+ 274.04223 151.2
[M+H-H2O]+ 218.07633 139.8
[M+HCOO]- 280.07727 167.1
[M+CH3COO]- 294.09292 198.6
[M+Na-2H]- 256.05374 150.5
[M]+ 235.07852 146.2
[M]- 235.07962 146.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.