CID 74889515

Ethyl 7-bromo-1h-1,3-benzodiazole-5-carboxylate

Structural Information

Molecular Formula
C10H9BrN2O2
SMILES
CCOC(=O)C1=CC2=C(C(=C1)Br)N=CN2
InChI
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)6-3-7(11)9-8(4-6)12-5-13-9/h3-5H,2H2,1H3,(H,12,13)
InChIKey
ZLESNNUDCIVTRG-UHFFFAOYSA-N
Compound name
ethyl 7-bromo-3H-benzimidazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

267.98474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.992016 149.1
[M+Na]+ 290.973958 162.7
[M-H]- 266.977464 153.4
[M+NH4]+ 286.018563 169.3
[M+K]+ 306.947898 151.2
[M+H-H2O]+ 250.982000 148.7
[M+HCOO]- 312.982941 168.7
[M+CH3COO]- 326.998591 189.9
[M+Na-2H]- 288.959406 156.2
[M]+ 267.98419142 170.3
[M]- 267.98528858 170.3
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