CID 96831

Benzene, 1,1'-(chlorophenylmethylene)bis[4-methoxy-

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

12942
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

literature stripe

Patent stripe

patents stripe