CID 285015

2-(4-nitrophenyl)-1-phenylethanol

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C14H13NO3/c16-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)15(17)18/h1-9,14,16H,10H2

InChIKey

MEWODLZYZUQZST-UHFFFAOYSA-N

Compound name

2-(4-nitrophenyl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.08954 Da
Monoisotopic Mass: 2.9
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]+	244.096816	153.2
[M+Na]+	266.078758	158.3
[M-H]-	242.082264	158.4
[M+NH4]+	261.123363	168.5
[M+K]+	282.052698	150.9
[M+H-H2O]+	226.086800	150.3
[M+HCOO]-	288.087741	176.3
[M+CH3COO]-	302.103391	184.7
[M+Na-2H]-	264.064206	159.7
[M]+	243.08899142	150.4
[M]-	243.09008858	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.