CID 44754794

(2r)-2-amino-2-(3-chlorophenyl)ethan-1-ol hydrochloride

Structural Information

Molecular Formula
C8H10ClNO
SMILES
C1=CC(=CC(=C1)Cl)[C@H](CO)N
InChI
InChI=1S/C8H10ClNO/c9-7-3-1-2-6(4-7)8(10)5-11/h1-4,8,11H,5,10H2/t8-/m0/s1
InChIKey
HLXHAXFWWGYXQW-QMMMGPOBSA-N
Compound name
(2R)-2-amino-2-(3-chlorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

171.04509 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.052366 133.8
[M+Na]+ 194.034308 141.9
[M-H]- 170.037814 135.8
[M+NH4]+ 189.078913 154.0
[M+K]+ 210.008248 137.8
[M+H-H2O]+ 154.042350 129.5
[M+HCOO]- 216.043291 152.3
[M+CH3COO]- 230.058941 177.7
[M+Na-2H]- 192.019756 138.9
[M]+ 171.04454142 132.9
[M]- 171.04563858 132.9
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