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

literature stripe

Patent stripe

patents stripe