CID 743662

Mls001077238

Structural Information

Molecular Formula
C15H13BrN2
SMILES
CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Br
InChI
InChI=1S/C15H13BrN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKey
RAVKGVBCSWBESJ-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]-2-methylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

300.0262 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.03348 161.1
[M+Na]+ 323.01542 175.3
[M-H]- 299.01892 169.6
[M+NH4]+ 318.06002 180.8
[M+K]+ 338.98936 162.6
[M+H-H2O]+ 283.02346 159.9
[M+HCOO]- 345.02440 182.3
[M+CH3COO]- 359.04005 176.0
[M+Na-2H]- 321.00087 168.5
[M]+ 300.02565 182.3
[M]- 300.02675 182.3
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.