CID 12514191

5-chloro-2-ethynyl-1-methyl-1h-imidazole

Structural Information

Molecular Formula
C6H5ClN2
SMILES
CN1C(=CN=C1C#C)Cl
InChI
InChI=1S/C6H5ClN2/c1-3-6-8-4-5(7)9(6)2/h1,4H,2H3
InChIKey
AIHFNTOFJYHSAF-UHFFFAOYSA-N
Compound name
5-chloro-2-ethynyl-1-methylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.01413 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.021406 122.6
[M+Na]+ 163.003348 135.7
[M-H]- 139.006854 122.2
[M+NH4]+ 158.047953 142.0
[M+K]+ 178.977288 131.3
[M+H-H2O]+ 123.011390 110.3
[M+HCOO]- 185.012331 136.0
[M+CH3COO]- 199.027981 181.4
[M+Na-2H]- 160.988796 127.2
[M]+ 140.01358142 119.1
[M]- 140.01467858 119.1
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.