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]+ 230.024626 146.1
[M+Na]+ 252.006568 158.2
[M-H]- 228.010074 146.4
[M+NH4]+ 247.051173 165.1
[M+K]+ 267.980508 151.3
[M+H-H2O]+ 212.014610 140.6
[M+HCOO]- 274.015551 158.1
[M+CH3COO]- 288.031201 158.6
[M+Na-2H]- 249.992016 150.0
[M]+ 229.01680142 147.9
[M]- 229.01789858 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.