CID 61212

776-19-2

Structural Information

Molecular Formula
C4H2Cl4N4O2
SMILES
C12C(N(C(=O)N1Cl)Cl)N(C(=O)N2Cl)Cl
InChI
InChI=1S/C4H2Cl4N4O2/c5-9-1-2(11(7)3(9)13)12(8)4(14)10(1)6/h1-2H
InChIKey
TWVLNKKMSLYUQQ-UHFFFAOYSA-N
Compound name
1,3,4,6-tetrachloro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

253
Patents

277.8932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.90048 156.9
[M+Na]+ 300.88242 169.1
[M-H]- 276.88592 153.4
[M+NH4]+ 295.92702 172.8
[M+K]+ 316.85636 164.9
[M+H-H2O]+ 260.89046 150.4
[M+HCOO]- 322.89140 153.8
[M+CH3COO]- 336.90705 166.3
[M+Na-2H]- 298.86787 153.4
[M]+ 277.89265 156.3
[M]- 277.89375 156.3
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