CID 2776180

120464-26-8

Structural Information

Molecular Formula
C14H15F13
SMILES
CCCCCCC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H15F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,2-6H2,1H3
InChIKey
JNMMIYWYYKPWFO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradec-7-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

430.09662 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.10390 190.4
[M+Na]+ 453.08584 197.8
[M-H]- 429.08934 168.7
[M+NH4]+ 448.13044 174.1
[M+K]+ 469.05978 192.8
[M+H-H2O]+ 413.09388 176.2
[M+HCOO]- 475.09482 188.7
[M+CH3COO]- 489.11047 228.6
[M+Na-2H]- 451.07129 190.7
[M]+ 430.09607 171.8
[M]- 430.09717 171.8
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

patents stripe