CID 466016

18672-03-2

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)N
InChI
InChI=1S/C7H5Cl2N3/c8-3-1-5-6(2-4(3)9)12-7(10)11-5/h1-2H,(H3,10,11,12)
InChIKey
HAADRTMPUSJNOI-UHFFFAOYSA-N
Compound name
5,6-dichloro-1H-benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

110
Patents

200.98605 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99333 136.9
[M+Na]+ 223.97527 150.1
[M-H]- 199.97877 137.4
[M+NH4]+ 219.01987 157.0
[M+K]+ 239.94921 143.2
[M+H-H2O]+ 183.98331 131.7
[M+HCOO]- 245.98425 150.5
[M+CH3COO]- 259.99990 150.3
[M+Na-2H]- 221.96072 143.0
[M]+ 200.98550 138.5
[M]- 200.98660 138.5
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