CID 47966

4-chlorophenyl-bis(2-hydroxy-1-naphthyl)methane

Structural Information

Molecular Formula
C27H19ClO2
SMILES
C1=CC=C2C(=C1)C=CC(=C2C(C3=CC=C(C=C3)Cl)C4=C(C=CC5=CC=CC=C54)O)O
InChI
InChI=1S/C27H19ClO2/c28-20-13-9-19(10-14-20)25(26-21-7-3-1-5-17(21)11-15-23(26)29)27-22-8-4-2-6-18(22)12-16-24(27)30/h1-16,25,29-30H
InChIKey
LQWQJJSAUKFOOO-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

410.10736 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11464 197.9
[M+Na]+ 433.09658 207.3
[M-H]- 409.10008 206.8
[M+NH4]+ 428.14118 209.4
[M+K]+ 449.07052 198.1
[M+H-H2O]+ 393.10462 188.2
[M+HCOO]- 455.10556 211.2
[M+CH3COO]- 469.12121 207.2
[M+Na-2H]- 431.08203 202.0
[M]+ 410.10681 200.3
[M]- 410.10791 200.3
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