CID 92012324

[(1z)-4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-1-yl]benzene

Structural Information

Molecular Formula
C13H9F9
SMILES
C1=CC=C(C=C1)/C=C\CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H9F9/c14-10(15,8-4-7-9-5-2-1-3-6-9)11(16,17)12(18,19)13(20,21)22/h1-7H,8H2/b7-4-
InChIKey
CHTMEBZUIXBKMA-DAXSKMNVSA-N
Compound name
[(Z)-4,4,5,5,6,6,7,7,7-nonafluorohept-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

336.05606 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06334 167.4
[M+Na]+ 359.04528 175.8
[M-H]- 335.04878 159.6
[M+NH4]+ 354.08988 180.5
[M+K]+ 375.01922 170.3
[M+H-H2O]+ 319.05332 154.7
[M+HCOO]- 381.05426 174.6
[M+CH3COO]- 395.06991 208.9
[M+Na-2H]- 357.03073 170.9
[M]+ 336.05551 153.9
[M]- 336.05661 153.9
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.