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 142.7
[M+Na]+ 424.91100 157.1
[M-H]- 400.91450 131.2
[M+NH4]+ 419.95560 154.7
[M+K]+ 440.88494 149.0
[M+H-H2O]+ 384.91904 128.2
[M+HCOO]- 446.91998 140.5
[M+CH3COO]- 460.93563 218.8
[M+Na-2H]- 422.89645 135.0
[M]+ 401.92123 128.5
[M]- 401.92233 128.5
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