CID 66238

3,3'-dichlorobisphenol a

Structural Information

Molecular Formula
C15H14Cl2O2
SMILES
CC(C)(C1=CC(=C(C=C1)O)Cl)C2=CC(=C(C=C2)O)Cl
InChI
InChI=1S/C15H14Cl2O2/c1-15(2,9-3-5-13(18)11(16)7-9)10-4-6-14(19)12(17)8-10/h3-8,18-19H,1-2H3
InChIKey
XBQRPFBBTWXIFI-UHFFFAOYSA-N
Compound name
2-chloro-4-[2-(3-chloro-4-hydroxyphenyl)propan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

13437
Patents

296.03708 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04436 162.4
[M+Na]+ 319.02630 172.9
[M-H]- 295.02980 166.8
[M+NH4]+ 314.07090 178.5
[M+K]+ 335.00024 165.8
[M+H-H2O]+ 279.03434 158.0
[M+HCOO]- 341.03528 172.7
[M+CH3COO]- 355.05093 197.3
[M+Na-2H]- 317.01175 165.8
[M]+ 296.03653 165.6
[M]- 296.03763 165.6
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