CID 138396488

[(1z)-3,3,4,4,5,5,6,6,6-nonafluorohex-1-en-1-yl]benzene

Structural Information

Molecular Formula
C12H7F9
SMILES
C1=CC=C(C=C1)/C=C\C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H7F9/c13-9(14,7-6-8-4-2-1-3-5-8)10(15,16)11(17,18)12(19,20)21/h1-7H/b7-6-
InChIKey
XGONTPLWCDFSPQ-SREVYHEPSA-N
Compound name
[(Z)-3,3,4,4,5,5,6,6,6-nonafluorohex-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

322.0404 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.04768 162.7
[M+Na]+ 345.02962 171.5
[M-H]- 321.03312 155.0
[M+NH4]+ 340.07422 176.3
[M+K]+ 361.00356 166.2
[M+H-H2O]+ 305.03766 150.2
[M+HCOO]- 367.03860 170.2
[M+CH3COO]- 381.05425 206.0
[M+Na-2H]- 343.01507 166.7
[M]+ 322.03985 148.8
[M]- 322.04095 148.8
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.