CID 67918

423-50-7

Structural Information

Molecular Formula
C6F14O2S
SMILES
C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
InChIKey
HSDJWNJDPDJOEV-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

306
Patents

401.93954 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.94682 175.6
[M+Na]+ 424.92876 175.4
[M+NH4]+ 419.97336 174.8
[M+K]+ 440.90270 174.6
[M-H]- 400.93226 171.9
[M+Na-2H]- 422.91421 174.2
[M]+ 401.93899 174.4
[M]- 401.94009 174.4
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