CID 73985452

1,1,1,2,2,3,3,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodec-4-ene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
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

No literature data available for this compound.

Patent stripe

patents stripe