CID 2774894

1h,1h-heptafluorobutyl trifluoromethanesulphonate

Structural Information

Molecular Formula
C5H2F10O3S
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C5H2F10O3S/c6-2(7,3(8,9)4(10,11)12)1-18-19(16,17)5(13,14)15/h1H2
InChIKey
NFLLLSBGBGDVEO-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

88
Patents

331.95648 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.96376 153.5
[M+Na]+ 354.94570 162.9
[M-H]- 330.94920 142.1
[M+NH4]+ 349.99030 166.7
[M+K]+ 370.91964 160.4
[M+H-H2O]+ 314.95374 141.5
[M+HCOO]- 376.95468 155.2
[M+CH3COO]- 390.97033 202.3
[M+Na-2H]- 352.93115 157.1
[M]+ 331.95593 142.6
[M]- 331.95703 142.6
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