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]+ 290.09422 165.4
[M+Na]+ 312.07616 171.3
[M-H]- 288.07966 170.3
[M+NH4]+ 307.12076 180.5
[M+K]+ 328.05010 165.7
[M+H-H2O]+ 272.08420 158.6
[M+HCOO]- 334.08514 182.8
[M+CH3COO]- 348.10079 199.5
[M+Na-2H]- 310.06161 168.7
[M]+ 289.08639 166.2
[M]- 289.08749 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.