CID 21881662

Schembl3906609

Structural Information

Molecular Formula
C11H7F15O2
SMILES
C1C(O1)COCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F15O2/c12-5(13,3-27-1-4-2-28-4)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4H,1-3H2
InChIKey
SMRVPYWYKKZPET-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

456.02066 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.02794 167.6
[M+Na]+ 479.00988 176.4
[M-H]- 455.01338 156.3
[M+NH4]+ 474.05448 173.2
[M+K]+ 494.98382 173.3
[M+H-H2O]+ 439.01792 151.6
[M+HCOO]- 501.01886 190.1
[M+CH3COO]- 515.03451 231.1
[M+Na-2H]- 476.99533 173.0
[M]+ 456.02011 150.5
[M]- 456.02121 150.5
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