CID 57785155

2,2-difluoroethyl sulfamate

Structural Information

Molecular Formula
C2H5F2NO3S
SMILES
C(C(F)F)OS(=O)(=O)N
InChI
InChI=1S/C2H5F2NO3S/c3-2(4)1-8-9(5,6)7/h2H,1H2,(H2,5,6,7)
InChIKey
SSTTUDMGVYAULX-UHFFFAOYSA-N
Compound name
2,2-difluoroethyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

160.99582 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00310 123.7
[M+Na]+ 183.98504 132.0
[M-H]- 159.98854 121.3
[M+NH4]+ 179.02964 144.0
[M+K]+ 199.95898 131.1
[M+H-H2O]+ 143.99308 117.3
[M+HCOO]- 205.99402 139.9
[M+CH3COO]- 220.00967 173.9
[M+Na-2H]- 181.97049 127.0
[M]+ 160.99527 123.0
[M]- 160.99637 123.0
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

patents stripe