CID 4124637

20072-48-4

Structural Information

Molecular Formula
C15H13ClN2
SMILES
CN1CC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2/c1-18-10-12-4-2-3-5-14(12)15(17-18)11-6-8-13(16)9-7-11/h2-9H,10H2,1H3
InChIKey
UJZBEVAMULPBFA-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-methyl-1H-phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07672 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.083996 156.8
[M+Na]+ 279.065938 166.9
[M-H]- 255.069444 161.4
[M+NH4]+ 274.110543 173.0
[M+K]+ 295.039878 160.1
[M+H-H2O]+ 239.073980 147.9
[M+HCOO]- 301.074921 171.7
[M+CH3COO]- 315.090571 168.7
[M+Na-2H]- 277.051386 163.7
[M]+ 256.07617142 157.6
[M]- 256.07726858 157.6
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.