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]+ 355.03993 182.0
[M+Na]+ 377.02187 195.7
[M-H]- 353.02537 187.8
[M+NH4]+ 372.06647 193.6
[M+K]+ 392.99581 185.4
[M+H-H2O]+ 337.02991 167.2
[M+HCOO]- 399.03085 192.0
[M+CH3COO]- 413.04650 191.5
[M+Na-2H]- 375.00732 183.9
[M]+ 354.03210 181.5
[M]- 354.03320 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.