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 149.1
[M+Na]+ 290.97396 162.7
[M-H]- 266.97746 153.4
[M+NH4]+ 286.01856 169.3
[M+K]+ 306.94790 151.2
[M+H-H2O]+ 250.98200 148.7
[M+HCOO]- 312.98294 168.7
[M+CH3COO]- 326.99859 189.9
[M+Na-2H]- 288.95941 156.2
[M]+ 267.98419 170.3
[M]- 267.98529 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