CID 113846

1-amino-2-((p-chlorophenyl)thio)-2-propanol

Structural Information

Molecular Formula
C9H12ClNOS
SMILES
C1=CC(=CC=C1SCC(CN)O)Cl
InChI
InChI=1S/C9H12ClNOS/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2
InChIKey
DQNKXYAQQCITGJ-UHFFFAOYSA-N
Compound name
1-amino-3-(4-chlorophenyl)sulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

217.0328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04008 144.4
[M+Na]+ 240.02202 155.9
[M+NH4]+ 235.06662 153.4
[M+K]+ 255.99596 147.4
[M-H]- 216.02552 146.8
[M+Na-2H]- 238.00747 150.0
[M]+ 217.03225 147.4
[M]- 217.03335 147.4
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