CID 84028210

3-bromoimidazo[1,2-a]pyridine-8-carbonitrile

Structural Information

Molecular Formula
C8H4BrN3
SMILES
C1=CN2C(=CN=C2C(=C1)C#N)Br
InChI
InChI=1S/C8H4BrN3/c9-7-5-11-8-6(4-10)2-1-3-12(7)8/h1-3,5H
InChIKey
HCGIIMJPUKYGKZ-UHFFFAOYSA-N
Compound name
3-bromoimidazo[1,2-a]pyridine-8-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

220.95886 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96614 134.3
[M+Na]+ 243.94808 150.8
[M-H]- 219.95158 137.3
[M+NH4]+ 238.99268 154.3
[M+K]+ 259.92202 138.3
[M+H-H2O]+ 203.95612 126.6
[M+HCOO]- 265.95706 154.7
[M+CH3COO]- 279.97271 148.7
[M+Na-2H]- 241.93353 143.2
[M]+ 220.95831 147.9
[M]- 220.95941 147.9
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