CID 2735872

Allyl 1h,1h-perfluorooctyl ether

Structural Information

Molecular Formula
C11H7F15O
SMILES
C=CCOCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F15O/c1-2-3-27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3-4H2
InChIKey
DPOFHGRLDJWXKJ-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-prop-2-enoxyoctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

440.02573 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.03301 186.8
[M+Na]+ 463.01495 166.3
[M-H]- 439.01845 163.4
[M+NH4]+ 458.05955 167.4
[M+K]+ 478.98889 191.7
[M+H-H2O]+ 423.02299 172.1
[M+HCOO]- 485.02393 181.0
[M+CH3COO]- 499.03958 228.8
[M+Na-2H]- 461.00040 188.9
[M]+ 440.02518 159.0
[M]- 440.02628 159.0
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

patents stripe