CID 3071239

1,2,4-triazolo(3,4-a)phthalazine, 8-chloro-6-phenyl-

Structural Information

Molecular Formula
C15H9ClN4
SMILES
C1=CC=C(C=C1)C2=NN3C=NN=C3C4=C2C=C(C=C4)Cl
InChI
InChI=1S/C15H9ClN4/c16-11-6-7-12-13(8-11)14(10-4-2-1-3-5-10)19-20-9-17-18-15(12)20/h1-9H
InChIKey
XUWBANWJZJOEBI-UHFFFAOYSA-N
Compound name
8-chloro-6-phenyl-[1,2,4]triazolo[3,4-a]phthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.05157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05885 161.7
[M+Na]+ 303.04079 175.1
[M-H]- 279.04429 165.5
[M+NH4]+ 298.08539 176.8
[M+K]+ 319.01473 167.0
[M+H-H2O]+ 263.04883 151.1
[M+HCOO]- 325.04977 177.0
[M+CH3COO]- 339.06542 173.8
[M+Na-2H]- 301.02624 170.0
[M]+ 280.05102 165.8
[M]- 280.05212 165.8
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

patents stripe