CID 82496945

5-bromo-1-cyclopropyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C10H9BrN2
SMILES
C1CC1N2C=NC3=C2C=CC(=C3)Br
InChI
InChI=1S/C10H9BrN2/c11-7-1-4-10-9(5-7)12-6-13(10)8-2-3-8/h1,4-6,8H,2-3H2
InChIKey
HNEGNHWSDNVYIO-UHFFFAOYSA-N
Compound name
5-bromo-1-cyclopropylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

235.9949 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.00218 147.8
[M+Na]+ 258.98412 164.0
[M-H]- 234.98762 156.7
[M+NH4]+ 254.02872 165.4
[M+K]+ 274.95806 151.6
[M+H-H2O]+ 218.99216 147.0
[M+HCOO]- 280.99310 169.6
[M+CH3COO]- 295.00875 163.3
[M+Na-2H]- 256.96957 156.0
[M]+ 235.99435 169.2
[M]- 235.99545 169.2
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