CID 18184

Perfluoro-2,7-dimethyloctane

Structural Information

Molecular Formula
C10F22
SMILES
C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10F22/c11-1(7(21,22)23,8(24,25)26)3(13,14)5(17,18)6(19,20)4(15,16)2(12,9(27,28)29)10(30,31)32
InChIKey
OBAVAMUHCSFDSY-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

215
Patents

537.96484 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.97212 161.8
[M+Na]+ 560.95406 161.9
[M+NH4]+ 555.99866 161.9
[M+K]+ 576.92800 162.4
[M-H]- 536.95756 161.7
[M+Na-2H]- 558.93951 162.4
[M]+ 537.96429 161.8
[M]- 537.96539 161.8
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