CID 95029

Phenol, 2,2'-ethylidenebis(4-chloro-

Structural Information

Molecular Formula
C14H12Cl2O2
SMILES
CC(C1=C(C=CC(=C1)Cl)O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C14H12Cl2O2/c1-8(11-6-9(15)2-4-13(11)17)12-7-10(16)3-5-14(12)18/h2-8,17-18H,1H3
InChIKey
USUGTMHBBHEXJX-UHFFFAOYSA-N
Compound name
4-chloro-2-[1-(5-chloro-2-hydroxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

48
Patents

282.02142 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.02870 159.4
[M+Na]+ 305.01064 175.8
[M+NH4]+ 300.05524 168.4
[M+K]+ 320.98458 167.6
[M-H]- 281.01414 163.4
[M+Na-2H]- 302.99609 167.7
[M]+ 282.02087 163.6
[M]- 282.02197 163.6
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