CID 6401338

1-chloro-4-(3,4-dimethylphenyl)phthalazine

Structural Information

Molecular Formula
C16H13ClN2
SMILES
CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)Cl)C
InChI
InChI=1S/C16H13ClN2/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)16(17)19-18-15/h3-9H,1-2H3
InChIKey
GYYXXMBDNZTEND-UHFFFAOYSA-N
Compound name
1-chloro-4-(3,4-dimethylphenyl)phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07672 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.083996 160.3
[M+Na]+ 291.065938 172.1
[M-H]- 267.069444 165.6
[M+NH4]+ 286.110543 176.4
[M+K]+ 307.039878 164.8
[M+H-H2O]+ 251.073980 151.5
[M+HCOO]- 313.074921 176.3
[M+CH3COO]- 327.090571 172.7
[M+Na-2H]- 289.051386 167.0
[M]+ 268.07617142 163.4
[M]- 268.07726858 163.4
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.