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

322
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

literature stripe

Patent stripe

patents stripe