CID 1811493

4,6-bis(4-chlorophenyl)-2-methoxynicotinonitrile

Structural Information

Molecular Formula
C19H12Cl2N2O
SMILES
COC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N
InChI
InChI=1S/C19H12Cl2N2O/c1-24-19-17(11-22)16(12-2-6-14(20)7-3-12)10-18(23-19)13-4-8-15(21)9-5-13/h2-10H,1H3
InChIKey
RWFZINADSZSPDJ-UHFFFAOYSA-N
Compound name
4,6-bis(4-chlorophenyl)-2-methoxypyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.03265 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.039926 182.0
[M+Na]+ 377.021868 195.7
[M-H]- 353.025374 187.8
[M+NH4]+ 372.066473 193.6
[M+K]+ 392.995808 185.4
[M+H-H2O]+ 337.029910 167.2
[M+HCOO]- 399.030851 192.0
[M+CH3COO]- 413.046501 191.5
[M+Na-2H]- 375.007316 183.9
[M]+ 354.03210142 181.5
[M]- 354.03319858 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.