CID 3353828

6-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5-dihydro-3(2h)-pyridazinone

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CN1C(=O)CCC(=N1)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C11H11ClN2O2/c1-14-11(16)5-3-9(13-14)8-6-7(12)2-4-10(8)15/h2,4,6,15H,3,5H2,1H3
InChIKey
NWBUJKHQJZLOCF-UHFFFAOYSA-N
Compound name
6-(5-chloro-2-hydroxyphenyl)-2-methyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 149.7
[M+Na]+ 261.04012 159.8
[M-H]- 237.04362 152.7
[M+NH4]+ 256.08472 165.2
[M+K]+ 277.01406 154.6
[M+H-H2O]+ 221.04816 142.4
[M+HCOO]- 283.04910 164.0
[M+CH3COO]- 297.06475 188.2
[M+Na-2H]- 259.02557 153.6
[M]+ 238.05035 149.7
[M]- 238.05145 149.7
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.