CID 13101888

1,4-bis(perfluorobutyl)butane

Structural Information

Molecular Formula
C12H8F18
SMILES
C(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H8F18/c13-5(14,7(17,18)9(21,22)11(25,26)27)3-1-2-4-6(15,16)8(19,20)10(23,24)12(28,29)30/h1-4H2
InChIKey
XBXKTWYMKBKJRQ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,9,9,10,10,11,11,12,12,12-octadecafluorododecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

494.03384 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.04112 160.7
[M+Na]+ 517.02306 160.8
[M+NH4]+ 512.06766 160.6
[M+K]+ 532.99700 161.2
[M-H]- 493.02656 159.7
[M+Na-2H]- 515.00851 161.2
[M]+ 494.03329 160.4
[M]- 494.03439 160.4
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