CID 2782207

154628-00-9

Structural Information

Molecular Formula
C20H29F13
SMILES
CCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H29F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33/h2-14H2,1H3
InChIKey
BREOHRVZEZMFOB-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoroicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

33
Patents

516.2062 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.21348 192.7
[M+Na]+ 539.19542 198.2
[M-H]- 515.19892 190.2
[M+NH4]+ 534.24002 197.8
[M+K]+ 555.16936 205.9
[M+H-H2O]+ 499.20346 183.5
[M+HCOO]- 561.20440 210.0
[M+CH3COO]- 575.22005 246.2
[M+Na-2H]- 537.18087 186.6
[M]+ 516.20565 191.3
[M]- 516.20675 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe