CID 53415661

1-(4-bromo-2-methoxyphenyl)-4-methyl-1h-imidazole

Structural Information

Molecular Formula
C11H11BrN2O
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)Br)OC
InChI
InChI=1S/C11H11BrN2O/c1-8-6-14(7-13-8)10-4-3-9(12)5-11(10)15-2/h3-7H,1-2H3
InChIKey
KHGOIOOGUJMLBQ-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-methoxyphenyl)-4-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

266.0055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.012776 149.4
[M+Na]+ 288.994718 163.0
[M-H]- 264.998224 157.0
[M+NH4]+ 284.039323 169.4
[M+K]+ 304.968658 152.0
[M+H-H2O]+ 249.002760 148.3
[M+HCOO]- 311.003701 170.9
[M+CH3COO]- 325.019351 193.5
[M+Na-2H]- 286.980166 155.5
[M]+ 266.00495142 170.5
[M]- 266.00604858 170.5
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

patents stripe