CID 96831

1,1'-(chlorophenylmethylene)bis(4-methoxybenzene)

Structural Information

Molecular Formula
C21H19ClO2
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)Cl
InChI
InChI=1S/C21H19ClO2/c1-23-19-12-8-17(9-13-19)21(22,16-6-4-3-5-7-16)18-10-14-20(24-2)15-11-18/h3-15H,1-2H3
InChIKey
JBWYRBLDOOOJEU-UHFFFAOYSA-N
Compound name
1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

12232
Patents

338.10736 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11464 180.1
[M+Na]+ 361.09658 187.9
[M-H]- 337.10008 189.5
[M+NH4]+ 356.14118 194.0
[M+K]+ 377.07052 181.8
[M+H-H2O]+ 321.10462 171.4
[M+HCOO]- 383.10556 197.5
[M+CH3COO]- 397.12121 209.3
[M+Na-2H]- 359.08203 185.4
[M]+ 338.10681 184.2
[M]- 338.10791 184.2
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

No patent data available for this compound.