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
2
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 203.5
[M+Na]+ 683.12002 207.3
[M-H]- 659.12352 208.8
[M+NH4]+ 678.16462 213.1
[M+K]+ 699.09396 220.9
[M+H-H2O]+ 643.12806 190.5
[M+HCOO]- 705.12900 220.7
[M+CH3COO]- 719.14465 263.9
[M+Na-2H]- 681.10547 200.7
[M]+ 660.13025 201.8
[M]- 660.13135 201.8
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