CID 3064037

Phenol, 2,2'-benzylidenebis(4-chloro-

Structural Information

Molecular Formula
C19H14Cl2O2
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)O)C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C19H14Cl2O2/c20-13-6-8-17(22)15(10-13)19(12-4-2-1-3-5-12)16-11-14(21)7-9-18(16)23/h1-11,19,22-23H
InChIKey
MCUFGOMRZPVMKS-UHFFFAOYSA-N
Compound name
4-chloro-2-[(5-chloro-2-hydroxyphenyl)-phenylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

344.03708 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.044356 174.5
[M+Na]+ 367.026298 183.9
[M-H]- 343.029804 181.3
[M+NH4]+ 362.070903 187.9
[M+K]+ 383.000238 175.7
[M+H-H2O]+ 327.034340 167.9
[M+HCOO]- 389.035281 185.4
[M+CH3COO]- 403.050931 185.1
[M+Na-2H]- 365.011746 176.3
[M]+ 344.03653142 176.9
[M]- 344.03762858 176.9
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