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

56
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 156.6
[M+Na]+ 305.01064 167.0
[M-H]- 281.01414 160.9
[M+NH4]+ 300.05524 173.2
[M+K]+ 320.98458 160.1
[M+H-H2O]+ 265.01868 152.3
[M+HCOO]- 327.01962 168.0
[M+CH3COO]- 341.03527 194.8
[M+Na-2H]- 302.99609 158.8
[M]+ 282.02087 159.5
[M]- 282.02197 159.5
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.