CID 171507

Brn 2135147

Structural Information

Molecular Formula
C17H18Cl2O2
SMILES
CC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)(Cl)Cl
InChI
InChI=1S/C17H18Cl2O2/c1-17(18,19)16(12-4-8-14(20-2)9-5-12)13-6-10-15(21-3)11-7-13/h4-11,16H,1-3H3
InChIKey
TWGGRWPPMMOFFI-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-methoxyphenyl)propyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
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 171.4
[M+Na]+ 347.05762 179.9
[M-H]- 323.06112 177.5
[M+NH4]+ 342.10222 187.2
[M+K]+ 363.03156 174.3
[M+H-H2O]+ 307.06566 165.5
[M+HCOO]- 369.06660 183.1
[M+CH3COO]- 383.08225 206.5
[M+Na-2H]- 345.04307 174.9
[M]+ 324.06785 177.7
[M]- 324.06895 177.7
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.