CID 23505222

66959-14-6

Structural Information

Molecular Formula
C7H3F13O3S
SMILES
C(C(C(F)F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F13O3S/c8-2(9)3(10,11)1-23-24(21,22)7(19,20)5(14,15)4(12,13)6(16,17)18/h2H,1H2
InChIKey
ATMKLIOVAVUSDM-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

413.95953 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.96681 169.4
[M+Na]+ 436.94875 178.0
[M-H]- 412.95225 154.9
[M+NH4]+ 431.99335 163.7
[M+K]+ 452.92269 175.1
[M+H-H2O]+ 396.95679 155.2
[M+HCOO]- 458.95773 174.9
[M+CH3COO]- 472.97338 218.5
[M+Na-2H]- 434.93420 171.1
[M]+ 413.95898 153.6
[M]- 413.96008 153.6
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