CID 5072293

4-benzyl-2,3,5,6-tetrachloropyridine

Structural Information

Molecular Formula
C12H7Cl4N
SMILES
C1=CC=C(C=C1)CC2=C(C(=NC(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H7Cl4N/c13-9-8(6-7-4-2-1-3-5-7)10(14)12(16)17-11(9)15/h1-5H,6H2
InChIKey
CMYYNLNHCJDXTM-UHFFFAOYSA-N
Compound name
4-benzyl-2,3,5,6-tetrachloropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.93326 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.94054 159.1
[M+Na]+ 327.92248 170.3
[M-H]- 303.92598 160.9
[M+NH4]+ 322.96708 174.0
[M+K]+ 343.89642 163.1
[M+H-H2O]+ 287.93052 153.5
[M+HCOO]- 349.93146 161.5
[M+CH3COO]- 363.94711 169.5
[M+Na-2H]- 325.90793 161.3
[M]+ 304.93271 161.7
[M]- 304.93381 161.7
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

No patent data available for this compound.