CID 120393

9007-20-9

Structural Information

Molecular Formula

C₁₅H₁₇ClO₃

SMILES

C1=CC=C2C=C(C=CC2=C1)OCC(CO)(CO)CCl

InChI

InChI=1S/C15H17ClO3/c16-8-15(9-17,10-18)11-19-14-6-5-12-3-1-2-4-13(12)7-14/h1-7,17-18H,8-11H2

InChIKey

PLZJMCNBPWEGNQ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-2-(naphthalen-2-yloxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 13
Patents: 280.0866 Da
Monoisotopic Mass: 2.8
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]+	281.09388	162.2
[M+Na]+	303.07582	175.4
[M+NH4]+	298.12042	170.5
[M+K]+	319.04976	168.0
[M-H]-	279.07932	163.6
[M+Na-2H]-	301.06127	168.3
[M]+	280.08605	164.9
[M]-	280.08715	164.9

Literature stripe

literature stripe

Patent stripe

patents stripe