CID 85719851

188298-09-1

Structural Information

Molecular Formula
C9H9F9O
SMILES
C=CCOCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H9F9O/c1-2-4-19-5-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-5H2
InChIKey
PPUCLCTVTJYXOM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4-nonafluoro-6-prop-2-enoxyhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

304.05096 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05824 158.2
[M+Na]+ 327.04018 166.6
[M-H]- 303.04368 147.5
[M+NH4]+ 322.08478 172.7
[M+K]+ 343.01412 163.5
[M+H-H2O]+ 287.04822 147.0
[M+HCOO]- 349.04916 165.5
[M+CH3COO]- 363.06481 204.5
[M+Na-2H]- 325.02563 161.5
[M]+ 304.05041 146.7
[M]- 304.05151 146.7
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.