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]+ 452.99418 188.7
[M+Na]+ 474.97612 164.3
[M-H]- 450.97962 163.0
[M+NH4]+ 470.02072 166.0
[M+K]+ 490.95006 194.7
[M+H-H2O]+ 434.98416 172.8
[M+HCOO]- 496.98510 179.0
[M+CH3COO]- 511.00075 230.9
[M+Na-2H]- 472.96157 190.4
[M]+ 451.98635 156.7
[M]- 451.98745 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.