CID 217242

4-amino-alpha-(aminomethyl)-3,5-dichlorobenzenemethanol

Structural Information

Molecular Formula
C8H10Cl2N2O
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)C(CN)O
InChI
InChI=1S/C8H10Cl2N2O/c9-5-1-4(7(13)3-11)2-6(10)8(5)12/h1-2,7,13H,3,11-12H2
InChIKey
PSYBQBYLHCDTPP-UHFFFAOYSA-N
Compound name
2-amino-1-(4-amino-3,5-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

220.01701 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02429 143.2
[M+Na]+ 243.00623 155.2
[M+NH4]+ 238.05083 151.4
[M+K]+ 258.98017 149.3
[M-H]- 219.00973 145.4
[M+Na-2H]- 240.99168 148.5
[M]+ 220.01646 145.9
[M]- 220.01756 145.9
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

patents stripe