CID 5234948

2-(4-biphenylyl)-4-(4-chlorophenoxymethyl)-1,3-dioxolane

Structural Information

Molecular Formula
C22H19ClO3
SMILES
C1C(OC(O1)C2=CC=C(C=C2)C3=CC=CC=C3)COC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H19ClO3/c23-19-10-12-20(13-11-19)24-14-21-15-25-22(26-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21-22H,14-15H2
InChIKey
VTTSPGTWSUGSNI-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenoxy)methyl]-2-(4-phenylphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10226 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10954 187.9
[M+Na]+ 389.09148 195.2
[M-H]- 365.09498 201.4
[M+NH4]+ 384.13608 199.5
[M+K]+ 405.06542 191.2
[M+H-H2O]+ 349.09952 179.2
[M+HCOO]- 411.10046 204.0
[M+CH3COO]- 425.11611 198.9
[M+Na-2H]- 387.07693 189.7
[M]+ 366.10171 191.3
[M]- 366.10281 191.3
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