CID 163774

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-n-(2,3,4,5-tetrachlorophenyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C13H2Cl4F11NO
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)NC(=O)C2(C(C(C(C(C2(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C13H2Cl4F11NO/c14-2-1-3(5(16)6(17)4(2)15)29-7(30)8(18)9(19,20)11(23,24)13(27,28)12(25,26)10(8,21)22/h1H,(H,29,30)
InChIKey
GLIVOROLYKBVMG-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(2,3,4,5-tetrachlorophenyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

536.87146 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.87874 153.7
[M+Na]+ 559.86068 171.1
[M-H]- 535.86418 148.1
[M+NH4]+ 554.90528 172.2
[M+K]+ 575.83462 163.2
[M+H-H2O]+ 519.86872 148.6
[M+HCOO]- 581.86966 147.5
[M+CH3COO]- 595.88531 240.0
[M+Na-2H]- 557.84613 154.9
[M]+ 536.87091 146.7
[M]- 536.87201 146.7
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