CID 62078

Oxirane, 2,2'-[methylenebis(2,1-phenyleneoxymethylene)]bis-

Structural Information

Molecular Formula
C19H20O4
SMILES
C1C(O1)COC2=CC=CC=C2CC3=CC=CC=C3OCC4CO4
InChI
InChI=1S/C19H20O4/c1-3-7-18(22-12-16-10-20-16)14(5-1)9-15-6-2-4-8-19(15)23-13-17-11-21-17/h1-8,16-17H,9-13H2
InChIKey
FIJSKXFJFGTBRV-UHFFFAOYSA-N
Compound name
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

692
Patents

312.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 172.7
[M+Na]+ 335.12539 179.7
[M-H]- 311.12889 185.5
[M+NH4]+ 330.16999 174.5
[M+K]+ 351.09933 180.5
[M+H-H2O]+ 295.13343 164.6
[M+HCOO]- 357.13437 192.1
[M+CH3COO]- 371.15002 182.2
[M+Na-2H]- 333.11084 176.9
[M]+ 312.13562 181.2
[M]- 312.13672 181.2
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