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]+ 679.12868 204.2
[M+Na]+ 701.11062 207.9
[M-H]- 677.11412 209.3
[M+NH4]+ 696.15522 213.7
[M+K]+ 717.08456 221.6
[M+H-H2O]+ 661.11866 191.4
[M+HCOO]- 723.11960 221.2
[M+CH3COO]- 737.13525 265.1
[M+Na-2H]- 699.09607 201.7
[M]+ 678.12085 201.7
[M]- 678.12195 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.