CID 128620

1,2-bis(perfluorobutyl)ethene

Structural Information

Molecular Formula
C10H2F18
SMILES
C(=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H2F18/c11-3(12,5(15,16)7(19,20)9(23,24)25)1-2-4(13,14)6(17,18)8(21,22)10(26,27)28/h1-2H
InChIKey
FSOCDJTVKIHJDC-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,10-octadecafluorodec-5-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

681
Patents

463.9869 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.99418 160.5
[M+Na]+ 486.97612 167.2
[M-H]- 462.97962 165.9
[M+NH4]+ 482.02072 168.8
[M+K]+ 502.95006 174.7
[M+H-H2O]+ 446.98416 175.6
[M+HCOO]- 508.98510 181.9
[M+CH3COO]- 523.00075 231.8
[M+Na-2H]- 484.96157 192.9
[M]+ 463.98635 159.0
[M]- 463.98745 159.0
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