CID 102944

3158-98-3

Structural Information

Molecular Formula

C₁₄H₁₄ClNO

SMILES

CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)Cl)N)O

InChI

InChI=1S/C14H14ClNO/c1-14(17,10-5-3-2-4-6-10)12-9-11(15)7-8-13(12)16/h2-9,17H,16H2,1H3

InChIKey

SIGGISMALGOPAO-UHFFFAOYSA-N

Compound name

1-(2-amino-5-chlorophenyl)-1-phenylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 247.07639 Da
Monoisotopic Mass: 3.4
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]+	248.08367	154.8
[M+Na]+	270.06561	163.3
[M-H]-	246.06911	160.1
[M+NH4]+	265.11021	172.0
[M+K]+	286.03955	157.3
[M+H-H2O]+	230.07365	149.1
[M+HCOO]-	292.07459	172.2
[M+CH3COO]-	306.09024	192.2
[M+Na-2H]-	268.05106	160.5
[M]+	247.07584	154.4
[M]-	247.07694	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe