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

15
Patents

344.03708 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.04436 174.5
[M+Na]+ 367.02630 183.9
[M-H]- 343.02980 181.3
[M+NH4]+ 362.07090 187.9
[M+K]+ 383.00024 175.7
[M+H-H2O]+ 327.03434 167.9
[M+HCOO]- 389.03528 185.4
[M+CH3COO]- 403.05093 185.1
[M+Na-2H]- 365.01175 176.3
[M]+ 344.03653 176.9
[M]- 344.03763 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