CID 510904

2,6-dichloro-3-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C10H10Cl2N2S
SMILES
CCSCC1=C(N=C2N1C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2S/c1-2-15-6-8-10(12)13-9-4-3-7(11)5-14(8)9/h3-5H,2,6H2,1H3
InChIKey
ZBGASZYMMADZJU-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.99417 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.001446 151.3
[M+Na]+ 282.983388 164.8
[M-H]- 258.986894 153.7
[M+NH4]+ 278.027993 171.2
[M+K]+ 298.957328 158.3
[M+H-H2O]+ 242.991430 146.1
[M+HCOO]- 304.992371 160.0
[M+CH3COO]- 319.008021 164.5
[M+Na-2H]- 280.968836 153.6
[M]+ 259.99362142 159.5
[M]- 259.99471858 159.5
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.