CID 11289

Chlorotrianisene

Structural Information

Molecular Formula
C23H21ClO3
SMILES
COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3
InChIKey
BFPSDSIWYFKGBC-UHFFFAOYSA-N
Compound name
1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

149
References

36076
Patents

380.11792 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12520 190.6
[M+Na]+ 403.10714 207.6
[M+NH4]+ 398.15174 199.1
[M+K]+ 419.08108 197.9
[M-H]- 379.11064 197.4
[M+Na-2H]- 401.09259 201.3
[M]+ 380.11737 195.6
[M]- 380.11847 195.6
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