CID 137935894

2117371-86-3

Structural Information

Molecular Formula
C6H6Cl2N2O2
SMILES
CN1C(=C(N=C1Cl)Cl)C(=O)OC
InChI
InChI=1S/C6H6Cl2N2O2/c1-10-3(5(11)12-2)4(7)9-6(10)8/h1-2H3
InChIKey
DFYUIKFFSUIUGP-UHFFFAOYSA-N
Compound name
methyl 2,5-dichloro-3-methylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.98064 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.98792 136.6
[M+Na]+ 230.96986 148.8
[M-H]- 206.97336 137.8
[M+NH4]+ 226.01446 156.5
[M+K]+ 246.94380 145.3
[M+H-H2O]+ 190.97790 131.5
[M+HCOO]- 252.97884 149.9
[M+CH3COO]- 266.99449 183.2
[M+Na-2H]- 228.95531 139.4
[M]+ 207.98009 142.0
[M]- 207.98119 142.0
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.