CID 101652

335-65-9

Structural Information

Molecular Formula
C8HF17
SMILES
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8HF17/c9-1(10)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)25/h1H
InChIKey
KBHBUUBXEQUIMV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

9126
Patents

419.98068 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.98796 178.2
[M+Na]+ 442.96990 187.8
[M-H]- 418.97340 161.5
[M+NH4]+ 438.01450 161.9
[M+K]+ 458.94384 184.3
[M+H-H2O]+ 402.97794 162.7
[M+HCOO]- 464.97888 172.7
[M+CH3COO]- 478.99453 226.3
[M+Na-2H]- 440.95535 179.0
[M]+ 419.98013 151.2
[M]- 419.98123 151.2
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.