CID 54254754

7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene

Structural Information

Molecular Formula
C13H11F15
SMILES
CCCCC=CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H11F15/c1-2-3-4-5-6-7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5-6H,2-4H2,1H3
InChIKey
PBFFYNBAOSKDGF-UHFFFAOYSA-N
Compound name
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

452.06213 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.06941 192.6
[M+Na]+ 475.05135 174.2
[M-H]- 451.05485 170.0
[M+NH4]+ 470.09595 174.4
[M+K]+ 491.02529 196.0
[M+H-H2O]+ 435.05939 177.6
[M+HCOO]- 497.06033 188.0
[M+CH3COO]- 511.07598 231.7
[M+Na-2H]- 473.03680 193.4
[M]+ 452.06158 166.5
[M]- 452.06268 166.5
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