CID 2392375

2-(1h-1,3-benzodiazol-2-yl)-1-(4-bromophenyl)ethan-1-one

Structural Information

Molecular Formula
C15H11BrN2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKey
YHPOVKCXHPJISA-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.0055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.012776 163.7
[M+Na]+ 336.994718 176.2
[M-H]- 312.998224 170.6
[M+NH4]+ 332.039323 181.5
[M+K]+ 352.968658 163.2
[M+H-H2O]+ 297.002760 162.5
[M+HCOO]- 359.003701 182.8
[M+CH3COO]- 373.019351 177.4
[M+Na-2H]- 334.980166 170.2
[M]+ 314.00495142 182.9
[M]- 314.00604858 182.9
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.