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

5
Patents

401.92178 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.929056 142.7
[M+Na]+ 424.910998 157.1
[M-H]- 400.914504 131.2
[M+NH4]+ 419.955603 154.7
[M+K]+ 440.884938 149.0
[M+H-H2O]+ 384.919040 128.2
[M+HCOO]- 446.919981 140.5
[M+CH3COO]- 460.935631 218.8
[M+Na-2H]- 422.896446 135.0
[M]+ 401.92123142 128.5
[M]- 401.92232858 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