CID 97224

32319-89-4

Structural Information

Molecular Formula
C8H14FN3O4S
SMILES
C1CS(=O)(=O)CCC1NC(=O)N(CCF)N=O
InChI
InChI=1S/C8H14FN3O4S/c9-3-4-12(11-14)8(13)10-7-1-5-17(15,16)6-2-7/h7H,1-6H2,(H,10,13)
InChIKey
LKCXGNNLVAZPIG-UHFFFAOYSA-N
Compound name
3-(1,1-dioxothian-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

267.0689 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07618 151.2
[M+Na]+ 290.05812 155.9
[M-H]- 266.06162 155.2
[M+NH4]+ 285.10272 169.7
[M+K]+ 306.03206 156.0
[M+H-H2O]+ 250.06616 143.8
[M+HCOO]- 312.06710 170.5
[M+CH3COO]- 326.08275 202.1
[M+Na-2H]- 288.04357 154.7
[M]+ 267.06835 151.2
[M]- 267.06945 151.2
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

patents stripe