CID 78973

Perfluorododecane

Structural Information

Molecular Formula
C12F26
SMILES
C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12F26/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)38
InChIKey
WNZGTRLARPEMIG-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosafluorododecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1050
Patents

637.9585 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.96578 152.6
[M+Na]+ 660.94772 152.6
[M+NH4]+ 655.99232 152.6
[M+K]+ 676.92166 152.6
[M-H]- 636.95122 152.6
[M+Na-2H]- 658.93317 167.2
[M]+ 637.95795 152.6
[M]- 637.95905 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe