CID 138394919

Dtxsid00881356

Structural Information

Molecular Formula
C11HCl6F15O2
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(C(F)(Cl)Cl)(F)F)(F)Cl)(F)F)(F)Cl)(F)F)(F)Cl)(F)F)(F)Cl)(F)F)O
InChI
InChI=1S/C11HCl6F15O2/c12-3(20,2(18,19)1(33)34)7(24,25)4(13,21)8(26,27)5(14,22)9(28,29)6(15,23)10(30,31)11(16,17)32/h(H,33,34)
InChIKey
RRGASYCLEKMGFM-UHFFFAOYSA-N
Compound name
3,5,7,9,11,11-hexachloro-2,2,3,4,4,5,6,6,7,8,8,9,10,10,11-pentadecafluoroundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

659.7868 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.79408 189.9
[M+Na]+ 682.77602 195.8
[M-H]- 658.77952 202.2
[M+NH4]+ 677.82062 202.2
[M+K]+ 698.74996 206.3
[M+H-H2O]+ 642.78406 188.1
[M+HCOO]- 704.78500 207.7
[M+CH3COO]- 718.80065 248.9
[M+Na-2H]- 680.76147 193.8
[M]+ 659.78625 204.8
[M]- 659.78735 204.8
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.