CID 12493365

Perfluoro-2,2,5,5-tetramethylhexane

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

537.96484 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.972116 170.5
[M+Na]+ 560.954058 175.9
[M-H]- 536.957564 178.7
[M+NH4]+ 555.998663 180.4
[M+K]+ 576.927998 186.2
[M+H-H2O]+ 520.962100 159.0
[M+HCOO]- 582.963041 191.0
[M+CH3COO]- 596.978691 241.5
[M+Na-2H]- 558.939506 172.2
[M]+ 537.96429142 168.7
[M]- 537.96538858 168.7
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

No patent data available for this compound.