CID 71418004

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

Structural Information

Molecular Formula
C26H41F13
SMILES
CCCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C26H41F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(27,28)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39/h2-20H2,1H3
InChIKey
XJKXILISVXBXKJ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

600.30005 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.30733 191.0
[M+Na]+ 623.28927 190.6
[M+NH4]+ 618.33387 189.9
[M+K]+ 639.26321 188.6
[M-H]- 599.29277 186.5
[M+Na-2H]- 621.27472 188.5
[M]+ 600.29950 189.5
[M]- 600.30060 189.5
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