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

24
Patents

503.96298 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.97026 162.1
[M+Na]+ 526.95220 167.6
[M-H]- 502.95570 169.4
[M+NH4]+ 521.99680 171.7
[M+K]+ 542.92614 176.5
[M+H-H2O]+ 486.96024 151.5
[M+HCOO]- 548.96118 183.0
[M+CH3COO]- 562.97683 237.3
[M+Na-2H]- 524.93765 163.3
[M]+ 503.96243 160.6
[M]- 503.96353 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