CID 85103

Mercury, chloro[4-[(2,4-dinitrophenyl)amino]phenyl]-

Structural Information

Molecular Formula
C12H8ClHgN3O4
SMILES
C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[Hg]Cl
InChI
InChI=1S/C12H8N3O4.ClH.Hg/c16-14(17)10-6-7-11(12(8-10)15(18)19)13-9-4-2-1-3-5-9;;/h2-8,13H;1H;/q;;+1/p-1
InChIKey
NRUITAHXRFYGBL-UHFFFAOYSA-M
Compound name
chloro-[4-(2,4-dinitroanilino)phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.99097 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.99825 203.8
[M+Na]+ 517.98019 207.3
[M-H]- 493.98369 208.3
[M+NH4]+ 513.02479 214.3
[M+K]+ 533.95413 194.1
[M+H-H2O]+ 477.98823 203.5
[M+HCOO]- 539.98917 223.6
[M+CH3COO]- 554.00482 202.0
[M+Na-2H]- 515.96564 207.7
[M]+ 494.99042 202.3
[M]- 494.99152 202.3
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.