CID 84677

14868-03-2

Structural Information

Molecular Formula
C14H10Cl2O2
SMILES
C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)O)O
InChI
InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H
InChIKey
OWEYKIWAZBBXJK-UHFFFAOYSA-N
Compound name
4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

11783
Patents

280.0058 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.01308 156.1
[M+Na]+ 302.99502 164.7
[M-H]- 278.99852 159.8
[M+NH4]+ 298.03962 172.0
[M+K]+ 318.96896 157.5
[M+H-H2O]+ 263.00306 151.5
[M+HCOO]- 325.00400 166.7
[M+CH3COO]- 339.01965 191.9
[M+Na-2H]- 300.98047 158.5
[M]+ 280.00525 156.9
[M]- 280.00635 156.9
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