CID 93937

4,4'-methylenebis(6-chloro-o-cresol)

Structural Information

Molecular Formula
C15H14Cl2O2
SMILES
CC1=CC(=CC(=C1O)Cl)CC2=CC(=C(C(=C2)C)O)Cl
InChI
InChI=1S/C15H14Cl2O2/c1-8-3-10(6-12(16)14(8)18)5-11-4-9(2)15(19)13(17)7-11/h3-4,6-7,18-19H,5H2,1-2H3
InChIKey
BDJIGDUAAKRYNC-UHFFFAOYSA-N
Compound name
2-chloro-4-[(3-chloro-4-hydroxy-5-methylphenyl)methyl]-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

296.03708 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04436 161.3
[M+Na]+ 319.02630 173.2
[M-H]- 295.02980 166.0
[M+NH4]+ 314.07090 177.9
[M+K]+ 335.00024 165.8
[M+H-H2O]+ 279.03434 157.0
[M+HCOO]- 341.03528 173.2
[M+CH3COO]- 355.05093 199.4
[M+Na-2H]- 317.01175 162.6
[M]+ 296.03653 165.8
[M]- 296.03763 165.8
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

patents stripe