CID 425763

2-(chloromethyl)-1h-imidazole hydrochloride

Structural Information

Molecular Formula
C4H5ClN2
SMILES
C1=CN=C(N1)CCl
InChI
InChI=1S/C4H5ClN2/c5-3-4-6-1-2-7-4/h1-2H,3H2,(H,6,7)
InChIKey
UGHWFYKQWZHCHK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

611
Patents

116.01413 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.021406 118.7
[M+Na]+ 139.003348 128.4
[M-H]- 115.006854 118.1
[M+NH4]+ 134.047953 140.4
[M+K]+ 154.977288 125.1
[M+H-H2O]+ 99.011390 112.8
[M+HCOO]- 161.012331 136.7
[M+CH3COO]- 175.027981 163.1
[M+Na-2H]- 136.988796 126.1
[M]+ 116.01358142 118.2
[M]- 116.01467858 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe