CID 98452458

1,1,1,2,2,3,3,4,4,7,7,8,8,8-tetradecafluorooctane

Structural Information

Molecular Formula
C8H4F14
SMILES
C(CC(C(F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F14/c9-3(10,1-2-4(11,12)7(17,18)19)5(13,14)6(15,16)8(20,21)22/h1-2H2
InChIKey
CNYBSNUPKFWYHL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,8,8,8-tetradecafluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.00894 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01622 173.3
[M+Na]+ 388.99816 173.4
[M+NH4]+ 384.04276 172.7
[M+K]+ 404.97210 172.5
[M-H]- 365.00166 169.7
[M+Na-2H]- 386.98361 172.2
[M]+ 366.00839 172.2
[M]- 366.00949 172.2
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.