CID 162396599

Dtxsid001033016

Structural Information

Molecular Formula
C27H35F19O9
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C27H35F19O9/c1-47-2-3-48-4-5-49-6-7-50-8-9-51-10-11-52-12-13-53-14-15-54-16-17-55-19(22(31,32)33)18(21(28,29)30)20(25(38,39)40,23(34,35)26(41,42)43)24(36,37)27(44,45)46/h2-17H2,1H3
InChIKey
ULNRIBLDWVQOSM-UHFFFAOYSA-N
Compound name
1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

864.19775 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 865.20503 240.1
[M+Na]+ 887.18697 241.0
[M-H]- 863.19047 247.9
[M+NH4]+ 882.23157 255.9
[M+K]+ 903.16091 254.7
[M+H-H2O]+ 847.19501 230.1
[M+HCOO]- 909.19595 250.7
[M+CH3COO]- 923.21160 285.1
[M+Na-2H]- 885.17242 231.6
[M]+ 864.19720 239.6
[M]- 864.19830 239.6
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.