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
2
Annotation Hits

0
References

120
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 191.0
[M+Na]+ 422.96368 200.2
[M-H]- 398.96718 186.8
[M+NH4]+ 418.00828 201.3
[M+K]+ 438.93762 198.5
[M+H-H2O]+ 382.97172 185.0
[M+HCOO]- 444.97266 191.5
[M+CH3COO]- 458.98831 239.6
[M+Na-2H]- 420.94913 186.3
[M]+ 399.97391 182.2
[M]- 399.97501 182.2
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.