CID 121520

1683-92-7

Structural Information

Molecular Formula
C4H5ClFNO3S
SMILES
CCSC(=O)C([N+](=O)[O-])(F)Cl
InChI
InChI=1S/C4H5ClFNO3S/c1-2-11-3(8)4(5,6)7(9)10/h2H2,1H3
InChIKey
VTJURGVSTCFTGO-UHFFFAOYSA-N
Compound name
S-ethyl 2-chloro-2-fluoro-2-nitroethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.96626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.97354 132.0
[M+Na]+ 223.95548 141.4
[M+NH4]+ 219.00008 138.9
[M+K]+ 239.92942 138.5
[M-H]- 199.95898 130.0
[M+Na-2H]- 221.94093 134.2
[M]+ 200.96571 133.1
[M]- 200.96681 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.