CID 22342

Etoxinol

Structural Information

Molecular Formula

C₁₆H₁₆Cl₂O₂

SMILES

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

InChI

InChI=1S/C16H16Cl2O2/c1-2-20-11-16(19,12-3-7-14(17)8-4-12)13-5-9-15(18)10-6-13/h3-10,19H,2,11H2,1H3

InChIKey

CPZLRDXKLHKMQX-UHFFFAOYSA-N

Compound name

1,1-bis(4-chlorophenyl)-2-ethoxyethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2596
Patents: 310.05273 Da
Monoisotopic Mass: 4.0
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]+	311.06001	167.8
[M+Na]+	333.04195	176.6
[M-H]-	309.04545	172.6
[M+NH4]+	328.08655	183.5
[M+K]+	349.01589	169.8
[M+H-H2O]+	293.04999	162.3
[M+HCOO]-	355.05093	179.2
[M+CH3COO]-	369.06658	200.3
[M+Na-2H]-	331.02740	172.4
[M]+	310.05218	172.4
[M]-	310.05328	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe