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
2
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 214.8
[M+Na]+ 623.28927 219.2
[M-H]- 599.29277 210.2
[M+NH4]+ 618.33387 219.7
[M+K]+ 639.26321 229.2
[M+H-H2O]+ 583.29731 204.8
[M+HCOO]- 645.29825 229.9
[M+CH3COO]- 659.31390 261.8
[M+Na-2H]- 621.27472 205.9
[M]+ 600.29950 212.7
[M]- 600.30060 212.7
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