CID 67918

Perfluorohexanesulphonyl fluoride

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
4
Annotation Hits

0
References

343
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 167.0
[M+Na]+ 424.92876 176.5
[M-H]- 400.93226 152.3
[M+NH4]+ 419.97336 157.4
[M+K]+ 440.90270 173.2
[M+H-H2O]+ 384.93680 152.7
[M+HCOO]- 446.93774 172.2
[M+CH3COO]- 460.95339 216.9
[M+Na-2H]- 422.91421 170.2
[M]+ 401.93899 147.9
[M]- 401.94009 147.9
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

No patent data available for this compound.