CID 46738427

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorohexacosane

Structural Information

Molecular Formula
C26H29F25
SMILES
CCCCCCCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C26H29F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)23(43,44)24(45,46)25(47,48)26(49,50)51/h2-14H2,1H3
InChIKey
OUASUHCMZXPMCH-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorohexacosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

816.187 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.19428 152.6
[M+Na]+ 839.17622 152.6
[M+NH4]+ 834.22082 152.6
[M+K]+ 855.15016 152.6
[M-H]- 815.17972 152.6
[M+Na-2H]- 837.16167 152.6
[M]+ 816.18645 152.6
[M]- 816.18755 152.6
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

No patent data available for this compound.