CID 137944431

2113528-99-5

Structural Information

Molecular Formula
C5H3Cl2N3
SMILES
CN1C(=C(N=C1Cl)Cl)C#N
InChI
InChI=1S/C5H3Cl2N3/c1-10-3(2-8)4(6)9-5(10)7/h1H3
InChIKey
OLJAMNFZTIIICF-UHFFFAOYSA-N
Compound name
2,5-dichloro-3-methylimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.9704 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.97768 129.5
[M+Na]+ 197.95962 143.3
[M-H]- 173.96312 129.9
[M+NH4]+ 193.00422 148.2
[M+K]+ 213.93356 138.6
[M+H-H2O]+ 157.96766 117.3
[M+HCOO]- 219.96860 140.5
[M+CH3COO]- 233.98425 190.6
[M+Na-2H]- 195.94507 133.6
[M]+ 174.96985 127.5
[M]- 174.97095 127.5
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.