CID 84462

P-(chlorodiphenylmethyl)anisole

Structural Information

Molecular Formula
C20H17ClO
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl
InChI
InChI=1S/C20H17ClO/c1-22-19-14-12-18(13-15-19)20(21,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15H,1H3
InChIKey
OBOHMJWDFPBPKD-UHFFFAOYSA-N
Compound name
1-[chloro(diphenyl)methyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3701
Patents

308.0968 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10408 172.2
[M+Na]+ 331.08602 179.8
[M-H]- 307.08952 181.4
[M+NH4]+ 326.13062 187.2
[M+K]+ 347.05996 173.0
[M+H-H2O]+ 291.09406 163.9
[M+HCOO]- 353.09500 189.8
[M+CH3COO]- 367.11065 183.7
[M+Na-2H]- 329.07147 178.7
[M]+ 308.09625 174.3
[M]- 308.09735 174.3
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