CID 9584848

3-iodobenzaldehyde (6-chloro-3-pyridazinyl)hydrazone

Structural Information

Molecular Formula
C11H8ClIN4
SMILES
C1=CC(=CC(=C1)I)/C=N/NC2=NN=C(C=C2)Cl
InChI
InChI=1S/C11H8ClIN4/c12-10-4-5-11(17-15-10)16-14-7-8-2-1-3-9(13)6-8/h1-7H,(H,16,17)/b14-7+
InChIKey
ICUFMRPSMHFXHS-VGOFMYFVSA-N
Compound name
6-chloro-N-[(E)-(3-iodophenyl)methylideneamino]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

357.9482 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.95548 160.1
[M+Na]+ 380.93742 162.2
[M-H]- 356.94092 158.1
[M+NH4]+ 375.98202 170.6
[M+K]+ 396.91136 162.6
[M+H-H2O]+ 340.94546 147.5
[M+HCOO]- 402.94640 176.5
[M+CH3COO]- 416.96205 205.5
[M+Na-2H]- 378.92287 156.9
[M]+ 357.94765 158.9
[M]- 357.94875 158.9
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

patents stripe