CID 209003

19071-58-0

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO2/c17-14-8-6-13(7-9-14)16(20)18-15(11-19)10-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H,18,20)
InChIKey
RFMBCABMTXUHPB-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.094216 165.4
[M+Na]+ 312.076158 171.3
[M-H]- 288.079664 170.3
[M+NH4]+ 307.120763 180.5
[M+K]+ 328.050098 165.7
[M+H-H2O]+ 272.084200 158.6
[M+HCOO]- 334.085141 182.8
[M+CH3COO]- 348.100791 199.5
[M+Na-2H]- 310.061606 168.7
[M]+ 289.08639142 166.2
[M]- 289.08748858 166.2
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

No patent data available for this compound.