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

36
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 118.0
[M+Na]+ 139.00335 131.0
[M+NH4]+ 134.04795 126.9
[M+K]+ 154.97729 126.5
[M-H]- 115.00685 118.4
[M+Na-2H]- 136.98880 124.5
[M]+ 116.01358 120.1
[M]- 116.01468 120.1
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