CID 94814

5-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenol

Structural Information

Molecular Formula
C13H10Cl2O2
SMILES
C1=CC(=C(C=C1Cl)O)CC2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C13H10Cl2O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17/h1-4,6-7,16-17H,5H2
InChIKey
PMYWWZKCZCXDPU-UHFFFAOYSA-N
Compound name
5-chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

268.0058 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.013076 152.8
[M+Na]+ 290.995018 163.9
[M-H]- 266.998524 157.1
[M+NH4]+ 286.039623 170.0
[M+K]+ 306.968958 156.6
[M+H-H2O]+ 251.003060 148.4
[M+HCOO]- 313.004001 165.4
[M+CH3COO]- 327.019651 191.0
[M+Na-2H]- 288.980466 156.6
[M]+ 268.00525142 155.8
[M]- 268.00634858 155.8
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