CID 4599706

62871-32-3

Structural Information

Molecular Formula
C15H13BrN2O
SMILES
CCOC1=C(C=C(C=C1)Br)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H13BrN2O/c1-2-19-14-8-7-10(16)9-11(14)15-17-12-5-3-4-6-13(12)18-15/h3-9H,2H2,1H3,(H,17,18)
InChIKey
LJFBGSSNPFGXJV-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-ethoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.02112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.02840 164.5
[M+Na]+ 339.01034 177.9
[M-H]- 315.01384 171.6
[M+NH4]+ 334.05494 182.7
[M+K]+ 354.98428 164.9
[M+H-H2O]+ 299.01838 163.2
[M+HCOO]- 361.01932 184.3
[M+CH3COO]- 375.03497 178.5
[M+Na-2H]- 336.99579 171.4
[M]+ 316.02057 185.2
[M]- 316.02167 185.2
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.