CID 365022

Nsc631957

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C(C(=C1)C2=CC(=NN=C2)C3=CC=CC=C3O)O
InChI
InChI=1S/C16H12N2O2/c19-15-7-3-1-5-12(15)11-9-14(18-17-10-11)13-6-2-4-8-16(13)20/h1-10,19-20H
InChIKey
DQGXCBDFQUPWHN-UHFFFAOYSA-N
Compound name
2-[6-(2-hydroxyphenyl)pyridazin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 160.0
[M+Na]+ 287.079088 168.8
[M-H]- 263.082594 165.0
[M+NH4]+ 282.123693 172.1
[M+K]+ 303.053028 162.6
[M+H-H2O]+ 247.087130 150.4
[M+HCOO]- 309.088071 179.6
[M+CH3COO]- 323.103721 171.1
[M+Na-2H]- 285.064536 166.5
[M]+ 264.08932142 158.3
[M]- 264.09041858 158.3
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

No patent data available for this compound.