CID 53395388

1,4-bis(pentafluorothio)perfluorobenzene

Structural Information

Molecular Formula
C6F14S2
SMILES
C1(=C(C(=C(C(=C1S(F)(F)(F)(F)F)F)F)S(F)(F)(F)(F)F)F)F
InChI
InChI=1S/C6F14S2/c7-1-2(8)6(22(16,17,18,19)20)4(10)3(9)5(1)21(11,12,13,14)15
InChIKey
ZGJYJNYANHLEHS-UHFFFAOYSA-N
Compound name
pentafluoro-[2,3,5,6-tetrafluoro-4-(pentafluoro-lambda6-sulfanyl)phenyl]-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

401.92178 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.92906 168.2
[M+Na]+ 424.91100 168.6
[M+NH4]+ 419.95560 167.9
[M+K]+ 440.88494 167.5
[M-H]- 400.91450 165.3
[M+Na-2H]- 422.89645 167.6
[M]+ 401.92123 167.4
[M]- 401.92233 167.4
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