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

69
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 144.8
[M+Na]+ 243.00623 154.1
[M-H]- 219.00973 146.1
[M+NH4]+ 238.05083 163.3
[M+K]+ 258.98017 148.3
[M+H-H2O]+ 203.01427 141.4
[M+HCOO]- 265.01521 158.6
[M+CH3COO]- 279.03086 189.3
[M+Na-2H]- 240.99168 146.7
[M]+ 220.01646 144.0
[M]- 220.01756 144.0
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