CID 14963557

2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethan-1-ol

Structural Information

Molecular Formula
C8H11F7O3
SMILES
C(COCCOCC(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H11F7O3/c9-6(10,7(11,12)8(13,14)15)5-18-4-3-17-2-1-16/h16H,1-5H2
InChIKey
SDTPOMADHFFMFD-UHFFFAOYSA-N
Compound name
2-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

288.05963 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06691 155.5
[M+Na]+ 311.04885 162.9
[M-H]- 287.05235 145.3
[M+NH4]+ 306.09345 170.1
[M+K]+ 327.02279 161.0
[M+H-H2O]+ 271.05689 145.5
[M+HCOO]- 333.05783 165.6
[M+CH3COO]- 347.07348 197.1
[M+Na-2H]- 309.03430 159.4
[M]+ 288.05908 148.9
[M]- 288.06018 148.9
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