CID 102830

Perfluoro-5,6-dimethyl-4,7-dioxadecane

Structural Information

Molecular Formula
C10F22O2
SMILES
C(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C10F22O2/c11-1(12,5(17,18)19)9(29,30)33-3(15,7(23,24)25)4(16,8(26,27)28)34-10(31,32)2(13,14)6(20,21)22
InChIKey
NJTNZAQULGOGAB-UHFFFAOYSA-N
Compound name
1,1,1,2,3,4,4,4-octafluoro-2,3-bis(1,1,2,2,3,3,3-heptafluoropropoxy)butane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

15
Patents

569.9547 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.961976 170.2
[M+Na]+ 592.943918 174.7
[M-H]- 568.947424 179.2
[M+NH4]+ 587.988523 181.2
[M+K]+ 608.917858 185.3
[M+H-H2O]+ 552.951960 158.9
[M+HCOO]- 614.952901 190.5
[M+CH3COO]- 628.968551 245.3
[M+Na-2H]- 590.929366 171.6
[M]+ 569.95415142 168.6
[M]- 569.95524858 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe