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]+ 751.29775 231.4
[M+Na]+ 773.27969 234.1
[M-H]- 749.28319 232.3
[M+NH4]+ 768.32429 239.8
[M+K]+ 789.25363 249.5
[M+H-H2O]+ 733.28773 218.0
[M+HCOO]- 795.28867 245.8
[M+CH3COO]- 809.30432 280.4
[M+Na-2H]- 771.26514 223.9
[M]+ 750.28992 229.2
[M]- 750.29102 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.