CID 10800302

1,4-dichloro-6-nitrophthalazine

Structural Information

Molecular Formula
C8H3Cl2N3O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NN=C2Cl)Cl
InChI
InChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)8(10)12-11-7/h1-3H
InChIKey
NVBIMKGUWIFRHF-UHFFFAOYSA-N
Compound name
1,4-dichloro-6-nitrophthalazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

242.96024 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.967516 143.7
[M+Na]+ 265.949458 154.4
[M-H]- 241.952964 145.1
[M+NH4]+ 260.994063 160.1
[M+K]+ 281.923398 145.7
[M+H-H2O]+ 225.957500 142.3
[M+HCOO]- 287.958441 156.9
[M+CH3COO]- 301.974091 184.5
[M+Na-2H]- 263.934906 153.2
[M]+ 242.95969142 145.9
[M]- 242.96078858 145.9
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