CID 599595

2,4-dichloro-n-(pyridin-3-yl)benzamide

Structural Information

Molecular Formula
C12H8Cl2N2O
SMILES
C1=CC(=CN=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-8-3-4-10(11(14)6-8)12(17)16-9-2-1-5-15-7-9/h1-7H,(H,16,17)
InChIKey
RQQYPUUCNNBJEH-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-pyridin-3-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

266.00137 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.00865 153.7
[M+Na]+ 288.99059 163.4
[M-H]- 264.99409 158.6
[M+NH4]+ 284.03519 169.9
[M+K]+ 304.96453 157.1
[M+H-H2O]+ 248.99863 147.0
[M+HCOO]- 310.99957 168.1
[M+CH3COO]- 325.01522 195.4
[M+Na-2H]- 286.97604 159.4
[M]+ 266.00082 156.1
[M]- 266.00192 156.1
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

patents stripe