CID 34554921

896094-88-5

Structural Information

Molecular Formula
C9H6BrN3
SMILES
C1=CC2=NC(=C(N2C=C1)Br)CC#N
InChI
InChI=1S/C9H6BrN3/c10-9-7(4-5-11)12-8-3-1-2-6-13(8)9/h1-3,6H,4H2
InChIKey
LVHBQMKKBTUEDR-UHFFFAOYSA-N
Compound name
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98178 138.3
[M+Na]+ 257.96372 154.4
[M-H]- 233.96722 141.2
[M+NH4]+ 253.00832 157.9
[M+K]+ 273.93766 141.7
[M+H-H2O]+ 217.97176 130.5
[M+HCOO]- 279.97270 158.4
[M+CH3COO]- 293.98835 152.4
[M+Na-2H]- 255.94917 146.7
[M]+ 234.97395 152.2
[M]- 234.97505 152.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.