CID 110354

Tri(methoxymethyl)diphenyl oxide

Structural Information

Molecular Formula
C18H22O4
SMILES
COCC1=CC=CC=C1OC2=CC(=CC(=C2)COC)COC
InChI
InChI=1S/C18H22O4/c1-19-11-14-8-15(12-20-2)10-17(9-14)22-18-7-5-4-6-16(18)13-21-3/h4-10H,11-13H2,1-3H3
InChIKey
WPUATQNTHQQNSV-UHFFFAOYSA-N
Compound name
1,3-bis(methoxymethyl)-5-[2-(methoxymethyl)phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.1518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.159076 170.6
[M+Na]+ 325.141018 177.9
[M-H]- 301.144524 177.3
[M+NH4]+ 320.185623 185.9
[M+K]+ 341.114958 175.6
[M+H-H2O]+ 285.149060 162.2
[M+HCOO]- 347.150001 194.5
[M+CH3COO]- 361.165651 205.6
[M+Na-2H]- 323.126466 174.4
[M]+ 302.15125142 178.0
[M]- 302.15234858 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe