CID 24834850

Brn 5044343

Structural Information

Molecular Formula
C12H8ClN3O
SMILES
C1=CC=NC(=C1)N2C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C12H8ClN3O/c13-8-4-5-9-10(7-8)16(12(17)15-9)11-3-1-2-6-14-11/h1-7H,(H,15,17)
InChIKey
AIOSRSXBGGIJJS-UHFFFAOYSA-N
Compound name
5-chloro-3-pyridin-2-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.03558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.04286 150.0
[M+Na]+ 268.02480 163.2
[M-H]- 244.02830 153.4
[M+NH4]+ 263.06940 166.7
[M+K]+ 283.99874 155.9
[M+H-H2O]+ 228.03284 141.7
[M+HCOO]- 290.03378 167.2
[M+CH3COO]- 304.04943 163.1
[M+Na-2H]- 266.01025 157.1
[M]+ 245.03503 153.0
[M]- 245.03613 153.0
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.