CID 13574822

96383-57-2

Structural Information

Molecular Formula
C11H7F13O3
SMILES
C=COC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H7F13O3/c1-2-26-5(25)27-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2
InChIKey
GHCQRPYPKRXNOF-UHFFFAOYSA-N
Compound name
ethenyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

434.01877 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.02605 159.1
[M+Na]+ 457.00799 166.5
[M-H]- 433.01149 164.5
[M+NH4]+ 452.05259 168.8
[M+K]+ 472.98193 170.4
[M+H-H2O]+ 417.01603 168.6
[M+HCOO]- 479.01697 179.4
[M+CH3COO]- 493.03262 224.7
[M+Na-2H]- 454.99344 157.9
[M]+ 434.01822 158.4
[M]- 434.01932 158.4
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.