CID 417357

2,2-bis(4-methoxy-3-methylphenyl)-1,3-dichloropropane

Structural Information

Molecular Formula
C19H22Cl2O2
SMILES
CC1=C(C=CC(=C1)C(CCl)(CCl)C2=CC(=C(C=C2)OC)C)OC
InChI
InChI=1S/C19H22Cl2O2/c1-13-9-15(5-7-17(13)22-3)19(11-20,12-21)16-6-8-18(23-4)14(2)10-16/h5-10H,11-12H2,1-4H3
InChIKey
GUOLCWNTYYOCQT-UHFFFAOYSA-N
Compound name
4-[1,3-dichloro-2-(4-methoxy-3-methylphenyl)propan-2-yl]-1-methoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.09967 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10695 180.8
[M+Na]+ 375.08889 190.5
[M-H]- 351.09239 187.1
[M+NH4]+ 370.13349 196.1
[M+K]+ 391.06283 184.1
[M+H-H2O]+ 335.09693 174.7
[M+HCOO]- 397.09787 192.6
[M+CH3COO]- 411.11352 213.9
[M+Na-2H]- 373.07434 182.9
[M]+ 352.09912 189.0
[M]- 352.10022 189.0
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.