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

61
Patents

116.01413 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02141 118.5
[M+Na]+ 139.00335 129.2
[M-H]- 115.00685 118.4
[M+NH4]+ 134.04795 140.6
[M+K]+ 154.97729 125.9
[M+H-H2O]+ 99.011390 112.9
[M+HCOO]- 161.01233 136.5
[M+CH3COO]- 175.02798 164.2
[M+Na-2H]- 136.98880 125.2
[M]+ 116.01358 118.3
[M]- 116.01468 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