CID 81869

Brn 2056447

Structural Information

Molecular Formula
C16H16Cl2O2
SMILES
COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)Cl
InChI
InChI=1S/C16H16Cl2O2/c1-19-13-7-3-11(4-8-13)15(16(17)18)12-5-9-14(20-2)10-6-12/h3-10,15-16H,1-2H3
InChIKey
RBEICLNUPBZRMH-UHFFFAOYSA-N
Compound name
1-[2,2-dichloro-1-(4-methoxyphenyl)ethyl]-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

310.05273 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06001 166.1
[M+Na]+ 333.04195 174.3
[M-H]- 309.04545 172.0
[M+NH4]+ 328.08655 182.2
[M+K]+ 349.01589 168.9
[M+H-H2O]+ 293.04999 160.1
[M+HCOO]- 355.05093 178.7
[M+CH3COO]- 369.06658 204.0
[M+Na-2H]- 331.02740 168.2
[M]+ 310.05218 171.9
[M]- 310.05328 171.9
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