CID 2776387

169477-62-7

Structural Information

Molecular Formula
C9F20O
SMILES
C(C(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9F20O/c10-1(5(17,18)19,6(20,21)22)8(26,27)30-9(28,29)4(15,16)2(11,12)3(13,14)7(23,24)25
InChIKey
ODWOZMSHTDFDFA-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propoxy]pentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

503.96298 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.970256 162.1
[M+Na]+ 526.952198 167.6
[M-H]- 502.955704 169.4
[M+NH4]+ 521.996803 171.7
[M+K]+ 542.926138 176.5
[M+H-H2O]+ 486.960240 151.5
[M+HCOO]- 548.961181 183.0
[M+CH3COO]- 562.976831 237.3
[M+Na-2H]- 524.937646 163.3
[M]+ 503.96243142 160.6
[M]- 503.96352858 160.6
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

patents stripe