CID 3061773

Brn 5553123

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CN1C2=C(C=CC(=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C14H11ClN2O/c1-16-13-9-10(15)7-8-12(13)17(14(16)18)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
GPKONOBHBYLJAU-UHFFFAOYSA-N
Compound name
5-chloro-3-methyl-1-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 154.8
[M+Na]+ 281.04522 168.5
[M-H]- 257.04872 161.0
[M+NH4]+ 276.08982 173.3
[M+K]+ 297.01916 161.8
[M+H-H2O]+ 241.05326 147.0
[M+HCOO]- 303.05420 174.1
[M+CH3COO]- 317.06985 168.8
[M+Na-2H]- 279.03067 160.5
[M]+ 258.05545 160.2
[M]- 258.05655 160.2
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.