CID 102824

4,4'-bis(2,3-epoxypropoxy)biphenyl

Structural Information

Molecular Formula
C18H18O4
SMILES
C1C(O1)COC2=CC=C(C=C2)C3=CC=C(C=C3)OCC4CO4
InChI
InChI=1S/C18H18O4/c1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18/h1-8,17-18H,9-12H2
InChIKey
OZRVXYJWUUMVOW-UHFFFAOYSA-N
Compound name
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1656
Patents

298.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 169.2
[M+Na]+ 321.10972 176.6
[M-H]- 297.11322 182.2
[M+NH4]+ 316.15432 171.5
[M+K]+ 337.08366 177.6
[M+H-H2O]+ 281.11776 161.2
[M+HCOO]- 343.11870 188.8
[M+CH3COO]- 357.13435 179.1
[M+Na-2H]- 319.09517 173.8
[M]+ 298.11995 177.4
[M]- 298.12105 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe