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

9206
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

literature stripe

Patent stripe

patents stripe