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
2
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 229.5
[M+Na]+ 839.17622 231.6
[M-H]- 815.17972 236.1
[M+NH4]+ 834.22082 240.2
[M+K]+ 855.15016 248.6
[M+H-H2O]+ 799.18426 215.1
[M+HCOO]- 861.18520 244.4
[M+CH3COO]- 875.20085 280.9
[M+Na-2H]- 837.16167 226.3
[M]+ 816.18645 227.5
[M]- 816.18755 227.5
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

No patent data available for this compound.