CID 3007402

108664-36-4

Structural Information

Molecular Formula
C17H11ClN2O2
SMILES
C=C(C(=O)C1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C=N2
InChI
InChI=1S/C17H11ClN2O2/c1-11(16(21)12-6-8-14(18)9-7-12)20-17(22)15-5-3-2-4-13(15)10-19-20/h2-10H,1H2
InChIKey
BKMWKOFGBWEZSP-UHFFFAOYSA-N
Compound name
2-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.0509 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05818 167.1
[M+Na]+ 333.04012 177.3
[M-H]- 309.04362 172.1
[M+NH4]+ 328.08472 180.6
[M+K]+ 349.01406 170.4
[M+H-H2O]+ 293.04816 158.1
[M+HCOO]- 355.04910 181.7
[M+CH3COO]- 369.06475 178.4
[M+Na-2H]- 331.02557 171.9
[M]+ 310.05035 169.8
[M]- 310.05145 169.8
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

No patent data available for this compound.