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
3
Annotation Hits

0
References

954
Patents

637.9585 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 638.965776 184.5
[M+Na]+ 660.947718 188.5
[M-H]- 636.951224 194.2
[M+NH4]+ 655.992323 195.4
[M+K]+ 676.921658 201.7
[M+H-H2O]+ 620.955760 171.9
[M+HCOO]- 682.956701 203.2
[M+CH3COO]- 696.972351 255.7
[M+Na-2H]- 658.933166 187.0
[M]+ 637.95795142 182.4
[M]- 637.95904858 182.4
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