CID 6156676

4663-36-9

Structural Information

Molecular Formula

C₂₁H₁₈O

SMILES

C1=CC=C(C=C1)/C=C/C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H18O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-17,22H/b17-16+

InChIKey

YLIUMDDAXJLBRG-WUKNDPDISA-N

Compound name

(E)-1,1,3-triphenylprop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 286.13577 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.14305	168.7
[M+Na]+	309.12499	174.0
[M-H]-	285.12849	176.3
[M+NH4]+	304.16959	182.7
[M+K]+	325.09893	167.3
[M+H-H2O]+	269.13303	160.2
[M+HCOO]-	331.13397	189.3
[M+CH3COO]-	345.14962	179.3
[M+Na-2H]-	307.11044	175.6
[M]+	286.13522	165.7
[M]-	286.13632	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe