CID 10040699

4,4-bis(ethylsulfanyl)-1,1,1,2,2,3,3-heptafluorobutane

Structural Information

Molecular Formula
C8H11F7S2
SMILES
CCSC(C(C(C(F)(F)F)(F)F)(F)F)SCC
InChI
InChI=1S/C8H11F7S2/c1-3-16-5(17-4-2)6(9,10)7(11,12)8(13,14)15/h5H,3-4H2,1-2H3
InChIKey
LJBIKALQNZIBRR-UHFFFAOYSA-N
Compound name
4,4-bis(ethylsulfanyl)-1,1,1,2,2,3,3-heptafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.01904 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02632 152.7
[M+Na]+ 327.00826 159.2
[M-H]- 303.01176 143.3
[M+NH4]+ 322.05286 167.6
[M+K]+ 342.98220 154.9
[M+H-H2O]+ 287.01630 141.5
[M+HCOO]- 349.01724 151.9
[M+CH3COO]- 363.03289 202.9
[M+Na-2H]- 324.99371 150.5
[M]+ 304.01849 146.2
[M]- 304.01959 146.2
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

No patent data available for this compound.