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

369
Patents

171.04509 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05237 133.8
[M+Na]+ 194.03431 141.9
[M-H]- 170.03781 135.8
[M+NH4]+ 189.07891 154.0
[M+K]+ 210.00825 137.8
[M+H-H2O]+ 154.04235 129.5
[M+HCOO]- 216.04329 152.3
[M+CH3COO]- 230.05894 177.7
[M+Na-2H]- 192.01976 138.9
[M]+ 171.04454 132.9
[M]- 171.04564 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