CID 5276377

Benzimidazol-2-one 1

Structural Information

Molecular Formula
C14H9ClF2N2O
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=CC(=C3)Cl)NC2=O)F
InChI
InChI=1S/C14H9ClF2N2O/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
YMOMBCSJYZNOLD-UHFFFAOYSA-N
Compound name
5-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

294.03714 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.04442 159.7
[M+Na]+ 317.02636 174.0
[M-H]- 293.02986 162.2
[M+NH4]+ 312.07096 176.3
[M+K]+ 333.00030 165.4
[M+H-H2O]+ 277.03440 150.6
[M+HCOO]- 339.03534 175.5
[M+CH3COO]- 353.05099 172.2
[M+Na-2H]- 315.01181 163.2
[M]+ 294.03659 161.8
[M]- 294.03769 161.8
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.