CID 15422407

Chembl584773

Structural Information

Molecular Formula
C16H13BrN2
SMILES
CC1=CC=C(C=C1)/C=C/C2=NC3=C(N2)C=C(C=C3)Br
InChI
InChI=1S/C16H13BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-10H,1H3,(H,18,19)/b9-6+
InChIKey
HBFUZKJGDYSNIQ-RMKNXTFCSA-N
Compound name
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.0262 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.03348 165.3
[M+Na]+ 335.01542 178.9
[M-H]- 311.01892 172.4
[M+NH4]+ 330.06002 183.8
[M+K]+ 350.98936 164.6
[M+H-H2O]+ 295.02346 164.2
[M+HCOO]- 357.02440 184.9
[M+CH3COO]- 371.04005 179.2
[M+Na-2H]- 333.00087 171.7
[M]+ 312.02565 184.4
[M]- 312.02675 184.4
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.