CID 99769080

Dtxsid90895407

Structural Information

Molecular Formula
C20H20F22
SMILES
C(CCCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C20H20F22/c21-11(22,13(25,26)15(29,30)17(33,34)19(37,38)39)9-7-5-3-1-2-4-6-8-10-12(23,24)14(27,28)16(31,32)18(35,36)20(40,41)42/h1-10H2
InChIKey
RFDSQPGWGBLAFI-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,16,16,17,17,18,18,19,19,20,20,20-docosafluoroicosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

678.1214 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.128676 204.2
[M+Na]+ 701.110618 207.9
[M-H]- 677.114124 209.3
[M+NH4]+ 696.155223 213.7
[M+K]+ 717.084558 221.6
[M+H-H2O]+ 661.118660 191.4
[M+HCOO]- 723.119601 221.2
[M+CH3COO]- 737.135251 265.1
[M+Na-2H]- 699.096066 201.7
[M]+ 678.12085142 201.7
[M]- 678.12194858 201.7
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.