CID 85539086

Dtxsid20895394

Structural Information

Molecular Formula
C29H41F19
SMILES
CCCCCCCCCCCCCCCCCCCCC(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
InChI
InChI=1S/C29H41F19/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)28(44,45)29(46,47)48/h2-20H2,1H3
InChIKey
IZFBCDCLTPWKSX-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorononacosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

750.29047 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.297746 231.4
[M+Na]+ 773.279688 234.1
[M-H]- 749.283194 232.3
[M+NH4]+ 768.324293 239.8
[M+K]+ 789.253628 249.5
[M+H-H2O]+ 733.287730 218.0
[M+HCOO]- 795.288671 245.8
[M+CH3COO]- 809.304321 280.4
[M+Na-2H]- 771.265136 223.9
[M]+ 750.28992142 229.2
[M]- 750.29101858 229.2
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.