CID 7277844

(2-chloro-6-fluorophenyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate

Structural Information

Molecular Formula
C13H5Cl5FNO2
SMILES
C1=CC(=C(C(=C1)Cl)COC(=O)C2=NC(=C(C(=C2Cl)Cl)Cl)Cl)F
InChI
InChI=1S/C13H5Cl5FNO2/c14-6-2-1-3-7(19)5(6)4-22-13(21)11-9(16)8(15)10(17)12(18)20-11/h1-3H,4H2
InChIKey
RPCZVDGMOQXJGM-UHFFFAOYSA-N
Compound name
(2-chloro-6-fluorophenyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.8747 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.88198 172.8
[M+Na]+ 423.86392 183.9
[M-H]- 399.86742 172.2
[M+NH4]+ 418.90852 183.8
[M+K]+ 439.83786 178.2
[M+H-H2O]+ 383.87196 167.2
[M+HCOO]- 445.87290 168.4
[M+CH3COO]- 459.88855 218.1
[M+Na-2H]- 421.84937 170.6
[M]+ 400.87415 175.6
[M]- 400.87525 175.6
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.