CID 3011465

3-chloro-n-(4-chloropyridin-2-yl)benzamide

Structural Information

Molecular Formula
C12H8Cl2N2O
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC2=NC=CC(=C2)Cl
InChI
InChI=1S/C12H8Cl2N2O/c13-9-3-1-2-8(6-9)12(17)16-11-7-10(14)4-5-15-11/h1-7H,(H,15,16,17)
InChIKey
YAEAEMABIDNLIN-UHFFFAOYSA-N
Compound name
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

266.00137 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.008646 153.7
[M+Na]+ 288.990588 163.4
[M-H]- 264.994094 158.6
[M+NH4]+ 284.035193 169.9
[M+K]+ 304.964528 157.1
[M+H-H2O]+ 248.998630 147.0
[M+HCOO]- 310.999571 168.1
[M+CH3COO]- 325.015221 195.4
[M+Na-2H]- 286.976036 159.4
[M]+ 266.00082142 156.1
[M]- 266.00191858 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