CID 73388486

93454-71-8

Structural Information

Molecular Formula
C22H25F21
SMILES
CCCCCCCCCCCCC(C(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)(F)F
InChI
InChI=1S/C22H25F21/c1-2-3-4-5-6-7-8-9-10-11-12-13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)22(41,42)43/h2-12H2,1H3
InChIKey
ABPWIOPUGZHCSE-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorodocosane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

688.1621 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.16938 210.4
[M+Na]+ 711.15132 213.8
[M-H]- 687.15482 215.0
[M+NH4]+ 706.19592 219.9
[M+K]+ 727.12526 228.0
[M+H-H2O]+ 671.15936 197.1
[M+HCOO]- 733.16030 226.9
[M+CH3COO]- 747.17595 268.2
[M+Na-2H]- 709.13677 206.7
[M]+ 688.16155 208.5
[M]- 688.16265 208.5
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.