CID 24357

2,4,5-trichloroimidazole

Structural Information

Molecular Formula
C3HCl3N2
SMILES
C1(=C(N=C(N1)Cl)Cl)Cl
InChI
InChI=1S/C3HCl3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKey
KCUCKJJLMMZKBV-UHFFFAOYSA-N
Compound name
2,4,5-trichloro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

128
Patents

169.92053 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.92781 127.0
[M+Na]+ 192.90975 138.7
[M-H]- 168.91325 125.1
[M+NH4]+ 187.95435 146.9
[M+K]+ 208.88369 133.2
[M+H-H2O]+ 152.91779 122.3
[M+HCOO]- 214.91873 134.2
[M+CH3COO]- 228.93438 139.7
[M+Na-2H]- 190.89520 131.2
[M]+ 169.91998 127.0
[M]- 169.92108 127.0
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