CID 206591

28192-00-9

Structural Information

Molecular Formula
C20H16Cl2O2
SMILES
C1=CC=C(C=C1)C(C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)O
InChI
InChI=1S/C20H16Cl2O2/c21-17-10-6-15(7-11-17)20(24,16-8-12-18(22)13-9-16)19(23)14-4-2-1-3-5-14/h1-13,19,23-24H
InChIKey
HIFIWEBLCYNFBP-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)-2-phenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05273 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06001 179.2
[M+Na]+ 381.04195 186.8
[M-H]- 357.04545 185.5
[M+NH4]+ 376.08655 191.5
[M+K]+ 397.01589 178.7
[M+H-H2O]+ 341.04999 172.4
[M+HCOO]- 403.05093 188.2
[M+CH3COO]- 417.06658 188.9
[M+Na-2H]- 379.02740 182.7
[M]+ 358.05218 180.7
[M]- 358.05328 180.7
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.