CID 4390557

1-(2,3-dichloropropyl)imidazole

Structural Information

Molecular Formula
C6H8Cl2N2
SMILES
C1=CN(C=N1)CC(CCl)Cl
InChI
InChI=1S/C6H8Cl2N2/c7-3-6(8)4-10-2-1-9-5-10/h1-2,5-6H,3-4H2
InChIKey
PODNLIRPVQVBQV-UHFFFAOYSA-N
Compound name
1-(2,3-dichloropropyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.00645 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.01373 133.7
[M+Na]+ 200.99567 142.9
[M-H]- 176.99917 133.5
[M+NH4]+ 196.04027 153.8
[M+K]+ 216.96961 138.9
[M+H-H2O]+ 161.00371 127.3
[M+HCOO]- 223.00465 146.2
[M+CH3COO]- 237.02030 177.5
[M+Na-2H]- 198.98112 138.3
[M]+ 178.00590 135.9
[M]- 178.00700 135.9
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.