CID 22404665

90499-29-9

Structural Information

Molecular Formula
C20H21F21
SMILES
CCCCCCCCCCC(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/C20H21F21/c1-2-3-4-5-6-7-8-9-10-11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)41/h2-10H2,1H3
InChIKey
IVEZGFUIXGVGNW-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-henicosafluoroicosane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

660.1308 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.13808 153.1
[M+Na]+ 683.12002 153.1
[M+NH4]+ 678.16462 153.1
[M+K]+ 699.09396 153.1
[M-H]- 659.12352 153.1
[M+Na-2H]- 681.10547 153.1
[M]+ 660.13025 153.1
[M]- 660.13135 153.1
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

patents stripe