CID 131302977

2091537-29-8

Structural Information

Molecular Formula
C6H5BrClN3
SMILES
CCN1C(=C(N=C1Br)Cl)C#N
InChI
InChI=1S/C6H5BrClN3/c1-2-11-4(3-9)5(8)10-6(11)7/h2H2,1H3
InChIKey
HAHIECXBHJXMMA-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-3-ethylimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.93555 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.94283 131.9
[M+Na]+ 255.92477 148.5
[M-H]- 231.92827 134.4
[M+NH4]+ 250.96937 151.7
[M+K]+ 271.89871 136.2
[M+H-H2O]+ 215.93281 124.7
[M+HCOO]- 277.93375 147.8
[M+CH3COO]- 291.94940 197.9
[M+Na-2H]- 253.91022 137.9
[M]+ 232.93500 146.3
[M]- 232.93610 146.3
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

No patent data available for this compound.