CID 13360355

2,2,2-trifluoroethyl sulfamate

Structural Information

Molecular Formula
C2H4F3NO3S
SMILES
C(C(F)(F)F)OS(=O)(=O)N
InChI
InChI=1S/C2H4F3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)
InChIKey
VJYFIYOHHYIOMA-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

79
Patents

178.9864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.99368 126.3
[M+Na]+ 201.97562 135.3
[M-H]- 177.97912 122.8
[M+NH4]+ 197.02022 146.0
[M+K]+ 217.94956 134.0
[M+H-H2O]+ 161.98366 119.4
[M+HCOO]- 223.98460 141.0
[M+CH3COO]- 238.00025 175.7
[M+Na-2H]- 199.96107 131.1
[M]+ 178.98585 124.3
[M]- 178.98695 124.3
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