CID 55267414

2-(chloromethyl)imidazo[1,2-a]pyridine-7-carbonitrile

Structural Information

Molecular Formula
C9H6ClN3
SMILES
C1=CN2C=C(N=C2C=C1C#N)CCl
InChI
InChI=1S/C9H6ClN3/c10-4-8-6-13-2-1-7(5-11)3-9(13)12-8/h1-3,6H,4H2
InChIKey
IZRYBUTWEZYYED-UHFFFAOYSA-N
Compound name
2-(chloromethyl)imidazo[1,2-a]pyridine-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.02502 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03230 138.2
[M+Na]+ 214.01424 152.2
[M-H]- 190.01774 139.4
[M+NH4]+ 209.05884 156.8
[M+K]+ 229.98818 145.6
[M+H-H2O]+ 174.02228 124.6
[M+HCOO]- 236.02322 153.9
[M+CH3COO]- 250.03887 150.7
[M+Na-2H]- 211.99969 145.0
[M]+ 191.02447 136.8
[M]- 191.02557 136.8
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