CID 313195

2-chloro-5-methyl-1h-imidazole

Structural Information

Molecular Formula
C4H5ClN2
SMILES
CC1=CN=C(N1)Cl
InChI
InChI=1S/C4H5ClN2/c1-3-2-6-4(5)7-3/h2H,1H3,(H,6,7)
InChIKey
FITMUOODICYTRA-UHFFFAOYSA-N
Compound name
2-chloro-5-methyl-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

116.01413 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.021406 118.5
[M+Na]+ 139.003348 129.2
[M-H]- 115.006854 118.4
[M+NH4]+ 134.047953 140.6
[M+K]+ 154.977288 125.9
[M+H-H2O]+ 99.011390 112.9
[M+HCOO]- 161.012331 136.5
[M+CH3COO]- 175.027981 164.2
[M+Na-2H]- 136.988796 125.2
[M]+ 116.01358142 118.3
[M]- 116.01467858 118.3
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