CID 53396432

Ethyl 2-(5-bromo-1h-1,3-benzodiazol-2-yl)acetate

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
CCOC(=O)CC1=NC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C11H11BrN2O2/c1-2-16-11(15)6-10-13-8-4-3-7(12)5-9(8)14-10/h3-5H,2,6H2,1H3,(H,13,14)
InChIKey
OVKDENCAYGBXKN-UHFFFAOYSA-N
Compound name
ethyl 2-(6-bromo-1H-benzimidazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.0004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00768 153.8
[M+Na]+ 304.98962 166.9
[M-H]- 280.99312 157.8
[M+NH4]+ 300.03422 173.4
[M+K]+ 320.96356 155.2
[M+H-H2O]+ 264.99766 153.2
[M+HCOO]- 326.99860 173.0
[M+CH3COO]- 341.01425 192.7
[M+Na-2H]- 302.97507 160.3
[M]+ 281.99985 175.2
[M]- 282.00095 175.2
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