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

1
Patents

267.98474 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99202 152.8
[M+Na]+ 290.97396 156.1
[M+NH4]+ 286.01856 156.5
[M+K]+ 306.94790 157.8
[M-H]- 266.97746 151.5
[M+Na-2H]- 288.95941 154.7
[M]+ 267.98419 151.6
[M]- 267.98529 151.6
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