CID 5276378

Benzimidazol-2-one 2

Structural Information

Molecular Formula
C14H9ClF2N2O
SMILES
C1=CC(=C(C(=C1)F)CN2C3=C(C=C(C=C3)Cl)NC2=O)F
InChI
InChI=1S/C14H9ClF2N2O/c15-8-4-5-13-12(6-8)18-14(20)19(13)7-9-10(16)2-1-3-11(9)17/h1-6H,7H2,(H,18,20)
InChIKey
IUXQGFHOYQUERL-UHFFFAOYSA-N
Compound name
6-chloro-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

patents stripe