CID 15017

Hexane, 1-(pentafluorothio)-tridecafluoro-

Structural Information

Molecular Formula
C6F18S
SMILES
C(C(C(C(F)(F)S(F)(F)(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F18S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)25(20,21,22,23)24
InChIKey
GVPQTQICQWIEKB-UHFFFAOYSA-N
Compound name
pentafluoro(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

445.94333 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.95061 172.5
[M+Na]+ 468.93255 182.9
[M-H]- 444.93605 154.8
[M+NH4]+ 463.97715 180.8
[M+K]+ 484.90649 178.3
[M+H-H2O]+ 428.94059 156.2
[M+HCOO]- 490.94153 163.7
[M+CH3COO]- 504.95718 226.6
[M+Na-2H]- 466.91800 170.6
[M]+ 445.94278 146.7
[M]- 445.94388 146.7
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