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
3
Annotation Hits

6
References

12344
Patents

338.10736 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.114636 180.1
[M+Na]+ 361.096578 187.9
[M-H]- 337.100084 189.5
[M+NH4]+ 356.141183 194.0
[M+K]+ 377.070518 181.8
[M+H-H2O]+ 321.104620 171.4
[M+HCOO]- 383.105561 197.5
[M+CH3COO]- 397.121211 209.3
[M+Na-2H]- 359.082026 185.4
[M]+ 338.10681142 184.2
[M]- 338.10790858 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