CID 3086586

Refchem:339241

Structural Information

Molecular Formula
C12H14F12S2
SMILES
CC(C(C(CCSSCCC(C(C(C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H14F12S2/c1-7(13,14)11(21,22)9(17,18)3-5-25-26-6-4-10(19,20)12(23,24)8(2,15)16/h3-6H2,1-2H3
InChIKey
CIZUOSOWGOENRE-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5-hexafluoro-1-(3,3,4,4,5,5-hexafluorohexyldisulfanyl)hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.03455 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.04183 183.3
[M+Na]+ 473.02377 188.9
[M-H]- 449.02727 168.2
[M+NH4]+ 468.06837 191.6
[M+K]+ 488.99771 183.3
[M+H-H2O]+ 433.03181 168.0
[M+HCOO]- 495.03275 173.9
[M+CH3COO]- 509.04840 229.4
[M+Na-2H]- 471.00922 181.5
[M]+ 450.03400 169.7
[M]- 450.03510 169.7
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

No patent data available for this compound.