CID 162345675

Dichloro-bpf

Structural Information

Molecular Formula
C13H10Cl2O2
SMILES
C1=CC(=CC=C1CC2=CC(=C(C(=C2)Cl)O)Cl)O
InChI
InChI=1S/C13H10Cl2O2/c14-11-6-9(7-12(15)13(11)17)5-8-1-3-10(16)4-2-8/h1-4,6-7,16-17H,5H2
InChIKey
ZNQVFXGEJBVZRU-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-[(4-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.