CID 117541

Phenyl 3,5-xylyl ether

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

CC1=CC(=CC(=C1)OC2=CC=CC=C2)C

InChI

InChI=1S/C14H14O/c1-11-8-12(2)10-14(9-11)15-13-6-4-3-5-7-13/h3-10H,1-2H3

InChIKey

AQPZTEIAYGPWGS-UHFFFAOYSA-N

Compound name

1,3-dimethyl-5-phenoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 154
Patents: 198.10446 Da
Monoisotopic Mass: 4.2
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]+	199.11174	143.3
[M+Na]+	221.09368	159.7
[M+NH4]+	216.13828	153.5
[M+K]+	237.06762	150.8
[M-H]-	197.09718	149.2
[M+Na-2H]-	219.07913	154.3
[M]+	198.10391	147.6
[M]-	198.10501	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe