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
7
Annotation Hits

149
References

43418
Patents

380.11792 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.125196 190.2
[M+Na]+ 403.107138 197.2
[M-H]- 379.110644 199.6
[M+NH4]+ 398.151743 202.4
[M+K]+ 419.081078 191.5
[M+H-H2O]+ 363.115180 181.1
[M+HCOO]- 425.116121 207.0
[M+CH3COO]- 439.131771 218.1
[M+Na-2H]- 401.092586 190.8
[M]+ 380.11737142 195.5
[M]- 380.11846858 195.5
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