CID 6447969

Acrylophenone, 5'-chloro-2'-hydroxy-3'-hydroxymethyl-3-phenyl-

Structural Information

Molecular Formula
C16H13ClO3
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2O)CO)Cl
InChI
InChI=1S/C16H13ClO3/c17-13-8-12(10-18)16(20)14(9-13)15(19)7-6-11-4-2-1-3-5-11/h1-9,18,20H,10H2/b7-6+
InChIKey
AZMSZSJGOZZBFS-VOTSOKGWSA-N
Compound name
(E)-1-[5-chloro-2-hydroxy-3-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.05533 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.06261 162.5
[M+Na]+ 311.04455 171.2
[M-H]- 287.04805 166.9
[M+NH4]+ 306.08915 177.9
[M+K]+ 327.01849 164.5
[M+H-H2O]+ 271.05259 156.6
[M+HCOO]- 333.05353 178.8
[M+CH3COO]- 347.06918 195.0
[M+Na-2H]- 309.03000 164.9
[M]+ 288.05478 164.3
[M]- 288.05588 164.3
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.