CID 99647691

1-(perfluorooctyl)docosane

Structural Information

Molecular Formula
C30H45F17
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C30H45F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h2-22H2,1H3
InChIKey
HUBKJPDTNKYKGO-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotriacontane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

728.32495 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.33223 232.6
[M+Na]+ 751.31417 235.5
[M-H]- 727.31767 231.2
[M+NH4]+ 746.35877 239.9
[M+K]+ 767.28811 250.0
[M+H-H2O]+ 711.32221 219.9
[M+HCOO]- 773.32315 246.6
[M+CH3COO]- 787.33880 279.6
[M+Na-2H]- 749.29962 223.7
[M]+ 728.32440 230.2
[M]- 728.32550 230.2
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.