CID 70813389

4-bromo-1-ethyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C9H9BrN2
SMILES
CCN1C=NC2=C1C=CC=C2Br
InChI
InChI=1S/C9H9BrN2/c1-2-12-6-11-9-7(10)4-3-5-8(9)12/h3-6H,2H2,1H3
InChIKey
QSMHMUDYCSOQEM-UHFFFAOYSA-N
Compound name
4-bromo-1-ethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.9949 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.00218 138.8
[M+Na]+ 246.98412 153.7
[M-H]- 222.98762 144.4
[M+NH4]+ 242.02872 161.6
[M+K]+ 262.95806 142.4
[M+H-H2O]+ 206.99216 138.7
[M+HCOO]- 268.99310 160.6
[M+CH3COO]- 283.00875 155.1
[M+Na-2H]- 244.96957 148.0
[M]+ 223.99435 160.1
[M]- 223.99545 160.1
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