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

13
Patents

595.98676 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 596.99404 182.0
[M+Na]+ 618.97598 186.8
[M-H]- 594.97948 191.0
[M+NH4]+ 614.02058 192.7
[M+K]+ 634.94992 199.1
[M+H-H2O]+ 578.98402 169.4
[M+HCOO]- 640.98496 201.6
[M+CH3COO]- 655.00061 251.9
[M+Na-2H]- 616.96143 183.3
[M]+ 595.98621 180.6
[M]- 595.98731 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