CID 2782409

Perfluorooct-1-ene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1130
Patents

399.97446 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.98174 171.1
[M+Na]+ 422.96368 180.6
[M-H]- 398.96718 154.8
[M+NH4]+ 418.00828 160.8
[M+K]+ 438.93762 176.8
[M+H-H2O]+ 382.97172 156.1
[M+HCOO]- 444.97266 169.5
[M+CH3COO]- 458.98831 222.0
[M+Na-2H]- 420.94913 170.6
[M]+ 399.97391 145.0
[M]- 399.97501 145.0
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