CID 6408759

1-chloro-4-(4-methylphenyl)phthalazine

Structural Information

Molecular Formula
C15H11ClN2
SMILES
CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)Cl
InChI
InChI=1S/C15H11ClN2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)15(16)18-17-14/h2-9H,1H3
InChIKey
SBSCJEDEQMLKJY-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-methylphenyl)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

254.06108 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06836 155.4
[M+Na]+ 277.05030 166.7
[M-H]- 253.05380 160.4
[M+NH4]+ 272.09490 171.8
[M+K]+ 293.02424 159.6
[M+H-H2O]+ 237.05834 146.6
[M+HCOO]- 299.05928 171.8
[M+CH3COO]- 313.07493 167.9
[M+Na-2H]- 275.03575 163.4
[M]+ 254.06053 157.7
[M]- 254.06163 157.7
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

patents stripe