CID 3061802

Brn 5576749

Structural Information

Molecular Formula
C17H11ClN2O
SMILES
C1=CC=C2C=C(C=CC2=C1)N3C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C17H11ClN2O/c18-13-6-8-15-16(10-13)20(17(21)19-15)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H,(H,19,21)
InChIKey
YWLCQQNTSQRXNP-UHFFFAOYSA-N
Compound name
5-chloro-3-naphthalen-2-yl-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.056 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06328 165.0
[M+Na]+ 317.04522 178.3
[M-H]- 293.04872 170.7
[M+NH4]+ 312.08982 182.1
[M+K]+ 333.01916 169.5
[M+H-H2O]+ 277.05326 156.8
[M+HCOO]- 339.05420 181.5
[M+CH3COO]- 353.06985 177.5
[M+Na-2H]- 315.03067 171.4
[M]+ 294.05545 168.5
[M]- 294.05655 168.5
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.