CID 86065734

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentacosane

Structural Information

Molecular Formula
C25H39F13
SMILES
CCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C25H39F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h2-19H2,1H3
InChIKey
UDLCDYBILHMVLL-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoropentacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

586.2844 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.29168 211.1
[M+Na]+ 609.27362 215.8
[M-H]- 585.27712 206.9
[M+NH4]+ 604.31822 216.1
[M+K]+ 625.24756 225.3
[M+H-H2O]+ 569.28166 201.3
[M+HCOO]- 631.28260 226.6
[M+CH3COO]- 645.29825 259.2
[M+Na-2H]- 607.25907 202.7
[M]+ 586.28385 209.1
[M]- 586.28495 209.1
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.