CID 3371274

4,4'-(2,2-dichloroethene-1,1-diyl)bis(2-methylphenol)

Structural Information

Molecular Formula
C16H14Cl2O2
SMILES
CC1=C(C=CC(=C1)C(=C(Cl)Cl)C2=CC(=C(C=C2)O)C)O
InChI
InChI=1S/C16H14Cl2O2/c1-9-7-11(3-5-13(9)19)15(16(17)18)12-4-6-14(20)10(2)8-12/h3-8,19-20H,1-2H3
InChIKey
HYFYBDIXIGPGBB-UHFFFAOYSA-N
Compound name
4-[2,2-dichloro-1-(4-hydroxy-3-methylphenyl)ethenyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

308.03708 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.04436 164.2
[M+Na]+ 331.02630 173.8
[M-H]- 307.02980 168.3
[M+NH4]+ 326.07090 179.6
[M+K]+ 347.00024 166.3
[M+H-H2O]+ 291.03434 159.7
[M+HCOO]- 353.03528 174.2
[M+CH3COO]- 367.05093 200.2
[M+Na-2H]- 329.01175 164.1
[M]+ 308.03653 166.5
[M]- 308.03763 166.5
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

patents stripe