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]+ 265.09715 160.0
[M+Na]+ 287.07909 168.8
[M-H]- 263.08259 165.0
[M+NH4]+ 282.12369 172.1
[M+K]+ 303.05303 162.6
[M+H-H2O]+ 247.08713 150.4
[M+HCOO]- 309.08807 179.6
[M+CH3COO]- 323.10372 171.1
[M+Na-2H]- 285.06454 166.5
[M]+ 264.08932 158.3
[M]- 264.09042 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.