CID 11736832

1-[(4-bromophenyl)methyl]-2-methyl-1h-imidazole

Structural Information

Molecular Formula
C11H11BrN2
SMILES
CC1=NC=CN1CC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BrN2/c1-9-13-6-7-14(9)8-10-2-4-11(12)5-3-10/h2-7H,8H2,1H3
InChIKey
GHUAUPIAGUEIHU-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]-2-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

250.01056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01784 146.9
[M+Na]+ 272.99978 159.8
[M-H]- 249.00328 154.1
[M+NH4]+ 268.04438 167.3
[M+K]+ 288.97372 148.4
[M+H-H2O]+ 233.00782 145.8
[M+HCOO]- 295.00876 168.2
[M+CH3COO]- 309.02441 162.2
[M+Na-2H]- 270.98523 153.6
[M]+ 250.01001 166.3
[M]- 250.01111 166.3
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