CID 5276380

Benzimidazol-2-one 4

Structural Information

Molecular Formula
C14H9Cl3N2O
SMILES
C1=CC(=C(C(=C1)Cl)CN2C3=C(C=CC(=C3)Cl)NC2=O)Cl
InChI
InChI=1S/C14H9Cl3N2O/c15-8-4-5-12-13(6-8)19(14(20)18-12)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
InChIKey
VDFKYIMTLCMJNH-UHFFFAOYSA-N
Compound name
5-chloro-3-[(2,6-dichlorophenyl)methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.97806 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.98534 167.6
[M+Na]+ 348.96728 181.6
[M-H]- 324.97078 170.4
[M+NH4]+ 344.01188 183.2
[M+K]+ 364.94122 172.7
[M+H-H2O]+ 308.97532 160.8
[M+HCOO]- 370.97626 174.5
[M+CH3COO]- 384.99191 179.0
[M+Na-2H]- 346.95273 170.0
[M]+ 325.97751 172.7
[M]- 325.97861 172.7
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

No patent data available for this compound.