CID 306970

2,4-dichloro-n-(2-pyrimidinyl)benzamide

Structural Information

Molecular Formula
C11H7Cl2N3O
SMILES
C1=CN=C(N=C1)NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H7Cl2N3O/c12-7-2-3-8(9(13)6-7)10(17)16-11-14-4-1-5-15-11/h1-6H,(H,14,15,16,17)
InChIKey
SBJSRFWMDQMNIA-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-pyrimidin-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9966 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.00388 154.3
[M+Na]+ 289.98582 170.4
[M+NH4]+ 285.03042 162.6
[M+K]+ 305.95976 162.2
[M-H]- 265.98932 158.0
[M+Na-2H]- 287.97127 164.1
[M]+ 266.99605 158.3
[M]- 266.99715 158.3
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.