CID 87154361

[(nonafluorobutyl)disulfanyl]benzene

Structural Information

Molecular Formula
C10H5F9S2
SMILES
C1=CC=C(C=C1)SSC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F9S2/c11-7(12,9(15,16)17)8(13,14)10(18,19)21-20-6-4-2-1-3-5-6/h1-5H
InChIKey
URUMHCVCHWMNCV-UHFFFAOYSA-N
Compound name
(1,1,2,2,3,3,4,4,4-nonafluorobutyldisulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

359.9689 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.97618 162.4
[M+Na]+ 382.95812 170.6
[M-H]- 358.96162 154.0
[M+NH4]+ 378.00272 174.8
[M+K]+ 398.93206 164.3
[M+H-H2O]+ 342.96616 148.9
[M+HCOO]- 404.96710 160.6
[M+CH3COO]- 418.98275 209.5
[M+Na-2H]- 380.94357 162.9
[M]+ 359.96835 152.2
[M]- 359.96945 152.2
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