CID 138396369

Dtxsid80896165

Structural Information

Molecular Formula
C19H11Cl2F17O2
SMILES
CC(=O)OC1=C(C=C(C=C1)Cl)CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C19H11Cl2F17O2/c1-7(39)40-11-3-2-9(20)4-8(11)5-10(21)6-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)38/h2-4,10H,5-6H2,1H3
InChIKey
NVGMZQYQNNPDAJ-UHFFFAOYSA-N
Compound name
[4-chloro-2-(2-chloro-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

663.98645 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.99373 171.8
[M+Na]+ 686.97567 171.7
[M+NH4]+ 682.02027 171.4
[M+K]+ 702.94961 171.5
[M-H]- 662.97917 170.4
[M+Na-2H]- 684.96112 171.4
[M]+ 663.98590 171.4
[M]- 663.98700 171.4
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.