CID 21116071

Ns00084950

Structural Information

Molecular Formula
C9H2F18
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C9H2F18/c10-1-2(11,12)4(14,15)6(18,19)7(20,21)5(16,17)3(13,8(22,23)24)9(25,26)27/h1H2
InChIKey
ZVGZTNIMVYXKLD-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-2-(trifluoromethyl)octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.9869 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.994176 188.7
[M+Na]+ 474.976118 164.3
[M-H]- 450.979624 163.0
[M+NH4]+ 470.020723 166.0
[M+K]+ 490.950058 194.7
[M+H-H2O]+ 434.984160 172.8
[M+HCOO]- 496.985101 179.0
[M+CH3COO]- 511.000751 230.9
[M+Na-2H]- 472.961566 190.4
[M]+ 451.98635142 156.7
[M]- 451.98744858 156.7
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

No patent data available for this compound.