CID 23234364

Perfluoro-cyclooctane

Structural Information

Molecular Formula
C8F16
SMILES
C1(C(C(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F16/c9-1(10)2(11,12)4(15,16)6(19,20)8(23,24)7(21,22)5(17,18)3(1,13)14
InChIKey
BCLLRNVMLZXSMM-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorocyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

399.97446 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.98174 170.8
[M+Na]+ 422.96368 170.9
[M+NH4]+ 418.00828 170.9
[M+K]+ 438.93762 170.5
[M-H]- 398.96718 170.4
[M+Na-2H]- 420.94913 170.8
[M]+ 399.97391 170.7
[M]- 399.97501 170.7
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