CID 66486346

1-(5,6-dichloro-1h-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C9H9Cl2N3
SMILES
CC(C1=NC2=CC(=C(C=C2N1)Cl)Cl)N
InChI
InChI=1S/C9H9Cl2N3/c1-4(12)9-13-7-2-5(10)6(11)3-8(7)14-9/h2-4H,12H2,1H3,(H,13,14)
InChIKey
ZCWJKEZMWZLCBF-UHFFFAOYSA-N
Compound name
1-(5,6-dichloro-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01735 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02463 146.1
[M+Na]+ 252.00657 158.2
[M-H]- 228.01007 146.4
[M+NH4]+ 247.05117 165.1
[M+K]+ 267.98051 151.3
[M+H-H2O]+ 212.01461 140.6
[M+HCOO]- 274.01555 158.1
[M+CH3COO]- 288.03120 158.6
[M+Na-2H]- 249.99202 150.0
[M]+ 229.01680 147.9
[M]- 229.01790 147.9
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

No patent data available for this compound.