CID 2734585

2-amino-2-(3,5-dichlorophenyl)ethanol

Structural Information

Molecular Formula
C8H9Cl2NO
SMILES
C1=C(C=C(C=C1Cl)Cl)C(CO)N
InChI
InChI=1S/C8H9Cl2NO/c9-6-1-5(8(11)4-12)2-7(10)3-6/h1-3,8,12H,4,11H2
InChIKey
LRORZXIRKBZZAG-UHFFFAOYSA-N
Compound name
2-amino-2-(3,5-dichlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

205.00612 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01340 139.2
[M+Na]+ 227.99534 148.5
[M-H]- 203.99884 140.8
[M+NH4]+ 223.03994 158.7
[M+K]+ 243.96928 143.0
[M+H-H2O]+ 188.00338 135.9
[M+HCOO]- 250.00432 152.6
[M+CH3COO]- 264.01997 183.6
[M+Na-2H]- 225.98079 142.8
[M]+ 205.00557 139.8
[M]- 205.00667 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe