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 144.5
[M+Na]+ 252.00657 158.8
[M+NH4]+ 247.05117 153.2
[M+K]+ 267.98051 153.4
[M-H]- 228.01007 145.9
[M+Na-2H]- 249.99202 150.4
[M]+ 229.01680 147.4
[M]- 229.01790 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.