CID 155858811

2580250-13-9

Structural Information

Molecular Formula
C10H8BrClN2O2
SMILES
COC(=O)C1=CN2C=C(N=C2C(=C1)Br)CCl
InChI
InChI=1S/C10H8BrClN2O2/c1-16-10(15)6-2-8(11)9-13-7(3-12)5-14(9)4-6/h2,4-5H,3H2,1H3
InChIKey
SZMGBDGNPHFBRT-UHFFFAOYSA-N
Compound name
methyl 8-bromo-2-(chloromethyl)imidazo[1,2-a]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.94577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.95305 152.7
[M+Na]+ 324.93499 168.6
[M-H]- 300.93849 158.5
[M+NH4]+ 319.97959 173.4
[M+K]+ 340.90893 156.2
[M+H-H2O]+ 284.94303 152.8
[M+HCOO]- 346.94397 169.3
[M+CH3COO]- 360.95962 196.9
[M+Na-2H]- 322.92044 159.4
[M]+ 301.94522 177.7
[M]- 301.94632 177.7
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.