CID 109952

68259-15-4

Structural Information

Molecular Formula
C7H4F13NO2S
SMILES
CNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F13NO2S/c1-21-24(22,23)7(19,20)5(14,15)3(10,11)2(8,9)4(12,13)6(16,17)18/h21H,1H3
InChIKey
HPPDPHZGXWMRHN-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-methylhexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

56
Patents

412.97552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.98280 170.8
[M+Na]+ 435.96474 179.0
[M-H]- 411.96824 156.6
[M+NH4]+ 431.00934 162.1
[M+K]+ 451.93868 175.8
[M+H-H2O]+ 395.97278 156.7
[M+HCOO]- 457.97372 176.0
[M+CH3COO]- 471.98937 221.1
[M+Na-2H]- 433.95019 174.8
[M]+ 412.97497 152.6
[M]- 412.97607 152.6
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