CID 630505

49757-42-8

Structural Information

Molecular Formula
C22H21ClO3
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
InChI
InChI=1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
InChIKey
OBFCMKPFILBCSQ-UHFFFAOYSA-N
Compound name
1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

317
Patents

368.11792 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.12520 187.6
[M+Na]+ 391.10714 195.7
[M-H]- 367.11064 197.3
[M+NH4]+ 386.15174 200.6
[M+K]+ 407.08108 190.3
[M+H-H2O]+ 351.11518 178.7
[M+HCOO]- 413.11612 204.9
[M+CH3COO]- 427.13177 215.4
[M+Na-2H]- 389.09259 191.8
[M]+ 368.11737 194.0
[M]- 368.11847 194.0
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.