CID 417356

Propane, 2,2-bis(p-methoxyphenyl)-1,3-dichloro-

Structural Information

Molecular Formula
C17H18Cl2O2
SMILES
COC1=CC=C(C=C1)C(CCl)(CCl)C2=CC=C(C=C2)OC
InChI
InChI=1S/C17H18Cl2O2/c1-20-15-7-3-13(4-8-15)17(11-18,12-19)14-5-9-16(21-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey
WBBWJUZPGHRERN-UHFFFAOYSA-N
Compound name
1-[1,3-dichloro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.0684 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07568 172.6
[M+Na]+ 347.05762 181.4
[M-H]- 323.06112 178.5
[M+NH4]+ 342.10222 188.3
[M+K]+ 363.03156 175.2
[M+H-H2O]+ 307.06566 166.4
[M+HCOO]- 369.06660 185.1
[M+CH3COO]- 383.08225 205.7
[M+Na-2H]- 345.04307 177.0
[M]+ 324.06785 179.3
[M]- 324.06895 179.3
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.