CID 3057175

73972-89-1

Structural Information

Molecular Formula
C11H9IN2O3
SMILES
CN1C(=O)C2=CC=CC=C2C(=O)N1C(=O)CI
InChI
InChI=1S/C11H9IN2O3/c1-13-10(16)7-4-2-3-5-8(7)11(17)14(13)9(15)6-12/h2-5H,6H2,1H3
InChIKey
AHHZZYNMXBMHKT-UHFFFAOYSA-N
Compound name
2-(2-iodoacetyl)-3-methylphthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.9658 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.97308 149.8
[M+Na]+ 366.95502 154.3
[M-H]- 342.95852 145.7
[M+NH4]+ 361.99962 161.8
[M+K]+ 382.92896 156.9
[M+H-H2O]+ 326.96306 139.0
[M+HCOO]- 388.96400 165.9
[M+CH3COO]- 402.97965 199.7
[M+Na-2H]- 364.94047 144.5
[M]+ 343.96525 150.7
[M]- 343.96635 150.7
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

No patent data available for this compound.