CID 3011753

2,3-diphenylnaphthalene-1,4-diol

Structural Information

Molecular Formula
C22H16O2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C(=C2C4=CC=CC=C4)O)O
InChI
InChI=1S/C22H16O2/c23-21-17-13-7-8-14-18(17)22(24)20(16-11-5-2-6-12-16)19(21)15-9-3-1-4-10-15/h1-14,23-24H
InChIKey
QKJLHVVCXMVJMG-UHFFFAOYSA-N
Compound name
2,3-diphenylnaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

312.11502 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12230 173.3
[M+Na]+ 335.10424 181.7
[M-H]- 311.10774 181.8
[M+NH4]+ 330.14884 187.2
[M+K]+ 351.07818 174.5
[M+H-H2O]+ 295.11228 164.4
[M+HCOO]- 357.11322 193.2
[M+CH3COO]- 371.12887 184.3
[M+Na-2H]- 333.08969 178.8
[M]+ 312.11447 171.8
[M]- 312.11557 171.8
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