CID 99484

2-bromo-4,5-dichloro-1h-imidazole

Structural Information

Molecular Formula
C3HBrCl2N2
SMILES
C1(=C(N=C(N1)Br)Cl)Cl
InChI
InChI=1S/C3HBrCl2N2/c4-3-7-1(5)2(6)8-3/h(H,7,8)
InChIKey
SULQOTGFPPFUMG-UHFFFAOYSA-N
Compound name
2-bromo-4,5-dichloro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

166
Patents

213.87003 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.87731 127.9
[M+Na]+ 236.85925 143.8
[M-H]- 212.86275 130.5
[M+NH4]+ 231.90385 150.3
[M+K]+ 252.83319 130.1
[M+H-H2O]+ 196.86729 129.0
[M+HCOO]- 258.86823 139.2
[M+CH3COO]- 272.88388 178.1
[M+Na-2H]- 234.84470 135.0
[M]+ 213.86948 146.7
[M]- 213.87058 146.7
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