CID 10909449

Schembl7257257

Structural Information

Molecular Formula
C6H3F12NO6S2
SMILES
C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)NS(=O)(=O)OC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C6H3F12NO6S2/c7-3(8,9)1(4(10,11)12)24-26(20,21)19-27(22,23)25-2(5(13,14)15)6(16,17)18/h1-2,19H
InChIKey
HTVHPVDSQATOMT-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropan-2-yl N-(1,1,1,3,3,3-hexafluoropropan-2-yloxysulfonyl)sulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

476.92102 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.92830 167.2
[M+Na]+ 499.91024 172.0
[M-H]- 475.91374 173.8
[M+NH4]+ 494.95484 177.8
[M+K]+ 515.88418 175.0
[M+H-H2O]+ 459.91828 160.7
[M+HCOO]- 521.91922 183.6
[M+CH3COO]- 535.93487 223.8
[M+Na-2H]- 497.89569 178.5
[M]+ 476.92047 168.0
[M]- 476.92157 168.0
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