CID 24844404

Tetrahydro-4-(bromomercuri)-5-methoxy-1,2-pyridazinedicarboximide

Structural Information

Molecular Formula
C7H10BrHgN3O3
SMILES
COC1CN2C(=O)NC(=O)N2CC1[Hg]Br
InChI
InChI=1S/C7H10N3O3.BrH.Hg/c1-13-5-2-3-9-6(11)8-7(12)10(9)4-5;;/h2,5H,3-4H2,1H3,(H,8,11,12);1H;/q;;+1/p-1
InChIKey
CFJDCYCEPKNXFA-UHFFFAOYSA-M
Compound name
bromo-(7-methoxy-1,3-dioxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.9612 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.96848 184.4
[M+Na]+ 487.95042 196.3
[M-H]- 463.95392 185.6
[M+NH4]+ 482.99502 201.0
[M+K]+ 503.92436 184.1
[M+H-H2O]+ 447.95846 181.8
[M+HCOO]- 509.95940 198.3
[M+CH3COO]- 523.97505 198.5
[M+Na-2H]- 485.93587 185.7
[M]+ 464.96065 203.2
[M]- 464.96175 203.2
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.