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

81
Patents

266.0055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.01278 149.4
[M+Na]+ 288.99472 163.0
[M-H]- 264.99822 157.0
[M+NH4]+ 284.03932 169.4
[M+K]+ 304.96866 152.0
[M+H-H2O]+ 249.00276 148.3
[M+HCOO]- 311.00370 170.9
[M+CH3COO]- 325.01935 193.5
[M+Na-2H]- 286.98017 155.5
[M]+ 266.00495 170.5
[M]- 266.00605 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