CID 138396309

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene

Structural Information

Molecular Formula
C15H17F13
SMILES
CCCCCCCC=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C15H17F13/c1-2-3-4-5-6-7-8-9-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h8-9H,2-7H2,1H3
InChIKey
OLZXZQQEKJLLNV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentadec-7-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

444.11227 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11955 194.8
[M+Na]+ 467.10149 202.0
[M-H]- 443.10499 172.2
[M+NH4]+ 462.14609 177.9
[M+K]+ 483.07543 196.7
[M+H-H2O]+ 427.10953 180.5
[M+HCOO]- 489.11047 192.1
[M+CH3COO]- 503.12612 231.3
[M+Na-2H]- 465.08694 194.8
[M]+ 444.11172 171.3
[M]- 444.11282 171.3
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.