CID 138396241

Heptaethylene glycol perfluoro-2-isopropyl-1,3-dimethylbut-1-enyl methyl ether

Structural Information

Molecular Formula
C24H31F17O8
SMILES
COCCOCCOCCOCCOCCOCCOCCOC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F
InChI
InChI=1S/C24H31F17O8/c1-42-2-3-43-4-5-44-6-7-45-8-9-46-10-11-47-12-13-48-14-15-49-17(20(27,28)29)16(18(25,21(30,31)32)22(33,34)35)19(26,23(36,37)38)24(39,40)41/h2-15H2,1H3
InChIKey
AJMIZAKQWZPWEH-UHFFFAOYSA-N
Compound name
1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(trifluoromethyl)pent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

770.17474 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.18202 156.3
[M+Na]+ 793.16396 156.4
[M+NH4]+ 788.20856 156.5
[M+K]+ 809.13790 156.5
[M-H]- 769.16746 156.2
[M+Na-2H]- 791.14941 156.0
[M]+ 770.17419 156.3
[M]- 770.17529 156.3
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.