CID 98455406

1516879-68-7

Structural Information

Molecular Formula
C9H7F11O
SMILES
C=CCOCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F11O/c1-2-3-21-4-5(10,11)6(12,13)7(14,15)8(16,17)9(18,19)20/h2H,1,3-4H2
InChIKey
SCLPYRSSWDKFEM-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-prop-2-enoxyhexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.03214 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03942 164.2
[M+Na]+ 363.02136 173.0
[M-H]- 339.02486 151.7
[M+NH4]+ 358.06596 176.9
[M+K]+ 378.99530 169.7
[M+H-H2O]+ 323.02940 151.9
[M+HCOO]- 385.03034 167.9
[M+CH3COO]- 399.04599 211.0
[M+Na-2H]- 361.00681 167.4
[M]+ 340.03159 149.0
[M]- 340.03269 149.0
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.