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]+ 257.08400 156.8
[M+Na]+ 279.06594 166.9
[M-H]- 255.06944 161.4
[M+NH4]+ 274.11054 173.0
[M+K]+ 295.03988 160.1
[M+H-H2O]+ 239.07398 147.9
[M+HCOO]- 301.07492 171.7
[M+CH3COO]- 315.09057 168.7
[M+Na-2H]- 277.05139 163.7
[M]+ 256.07617 157.6
[M]- 256.07727 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.