CID 10041425

Pentafluorophenyl trifluoromethanesulfonate

Structural Information

Molecular Formula
C7F8O3S
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C7F8O3S/c8-1-2(9)4(11)6(5(12)3(1)10)18-19(16,17)7(13,14)15
InChIKey
OTTBRWDUQHDNBY-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

315.94403 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.95131 148.7
[M+Na]+ 338.93325 162.2
[M-H]- 314.93675 143.8
[M+NH4]+ 333.97785 164.0
[M+K]+ 354.90719 157.7
[M+H-H2O]+ 298.94129 137.1
[M+HCOO]- 360.94223 157.7
[M+CH3COO]- 374.95788 202.4
[M+Na-2H]- 336.91870 148.6
[M]+ 315.94348 143.6
[M]- 315.94458 143.6
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