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]+ 269.08400 160.3
[M+Na]+ 291.06594 172.1
[M-H]- 267.06944 165.6
[M+NH4]+ 286.11054 176.4
[M+K]+ 307.03988 164.8
[M+H-H2O]+ 251.07398 151.5
[M+HCOO]- 313.07492 176.3
[M+CH3COO]- 327.09057 172.7
[M+Na-2H]- 289.05139 167.0
[M]+ 268.07617 163.4
[M]- 268.07727 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.