CID 3061774

Brn 5558660

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
C1=CC=C(C=C1)N2C3=CC(=C(C=C3NC2=O)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2O/c14-9-6-11-12(7-10(9)15)17(13(18)16-11)8-4-2-1-3-5-8/h1-7H,(H,16,18)
InChIKey
GNVJUCOBBBZCBW-UHFFFAOYSA-N
Compound name
5,6-dichloro-3-phenyl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.00137 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.008646 156.7
[M+Na]+ 300.990588 170.6
[M-H]- 276.994094 160.8
[M+NH4]+ 296.035193 174.1
[M+K]+ 316.964528 162.3
[M+H-H2O]+ 260.998630 149.7
[M+HCOO]- 322.999571 169.6
[M+CH3COO]- 337.015221 169.5
[M+Na-2H]- 298.976036 161.6
[M]+ 278.00082142 161.1
[M]- 278.00191858 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

No patent data available for this compound.