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 152.9
[M+Na]+ 289.98582 162.8
[M-H]- 265.98932 156.4
[M+NH4]+ 285.03042 167.6
[M+K]+ 305.95976 156.7
[M+H-H2O]+ 249.99386 145.2
[M+HCOO]- 311.99480 166.2
[M+CH3COO]- 326.01045 164.7
[M+Na-2H]- 287.97127 159.2
[M]+ 266.99605 155.3
[M]- 266.99715 155.3
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.