CID 3061806

79759-80-1

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
C1=CC(=CC(=C1)Cl)N2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C13H8Cl2N2O/c14-8-2-1-3-10(6-8)17-12-7-9(15)4-5-11(12)16-13(17)18/h1-7H,(H,16,18)
InChIKey
OARTUDLHQLLYAA-UHFFFAOYSA-N
Compound name
5-chloro-3-(3-chlorophenyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

278.00137 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00865 156.7
[M+Na]+ 300.99059 170.6
[M-H]- 276.99409 160.8
[M+NH4]+ 296.03519 174.1
[M+K]+ 316.96453 162.3
[M+H-H2O]+ 260.99863 149.7
[M+HCOO]- 322.99957 169.6
[M+CH3COO]- 337.01522 169.5
[M+Na-2H]- 298.97604 161.6
[M]+ 278.00082 161.1
[M]- 278.00192 161.1
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

patents stripe