CID 99647792

Dtxsid80895390

Structural Information

Molecular Formula
C25H31F21
SMILES
CCCCCCCCCCCCCCCC(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
InChI
InChI=1S/C25H31F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)22(38,39)23(40,41)24(42,43)25(44,45)46/h2-15H2,1H3
InChIKey
IRENDMIBVKTRCR-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-henicosafluoropentacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

730.20905 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 731.21633 220.5
[M+Na]+ 753.19827 223.5
[M-H]- 729.20177 224.4
[M+NH4]+ 748.24287 229.9
[M+K]+ 769.17221 238.6
[M+H-H2O]+ 713.20631 206.9
[M+HCOO]- 775.20725 236.1
[M+CH3COO]- 789.22290 274.6
[M+Na-2H]- 751.18372 215.6
[M]+ 730.20850 218.5
[M]- 730.20960 218.5
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.