CID 98453294

Dtxsid40895376

Structural Information

Molecular Formula
C13H3F23
SMILES
C=CC(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H3F23/c1-2-3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h2H,1H2
InChIKey
PKTJTELNIOJBQE-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluorotridec-1-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

595.98676 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.994036 182.0
[M+Na]+ 618.975978 186.8
[M-H]- 594.979484 191.0
[M+NH4]+ 614.020583 192.7
[M+K]+ 634.949918 199.1
[M+H-H2O]+ 578.984020 169.4
[M+HCOO]- 640.984961 201.6
[M+CH3COO]- 655.000611 251.9
[M+Na-2H]- 616.961426 183.3
[M]+ 595.98621142 180.6
[M]- 595.98730858 180.6
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