CID 21698068

2-chloro-5-(chloromethyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C4H4Cl2N2
SMILES
C1=C(NC(=N1)Cl)CCl
InChI
InChI=1S/C4H4Cl2N2/c5-1-3-2-7-4(6)8-3/h2H,1H2,(H,7,8)
InChIKey
XLBKBZJIOPXMSI-UHFFFAOYSA-N
Compound name
2-chloro-5-(chloromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

149.97516 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.982436 124.8
[M+Na]+ 172.964378 135.6
[M-H]- 148.967884 123.8
[M+NH4]+ 168.008983 145.6
[M+K]+ 188.938318 130.8
[M+H-H2O]+ 132.972420 119.4
[M+HCOO]- 194.973361 137.4
[M+CH3COO]- 208.989011 169.2
[M+Na-2H]- 170.949826 130.5
[M]+ 149.97461142 125.2
[M]- 149.97570858 125.2
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

patents stripe