CID 97280

Tetrachlorodinitroethane

Structural Information

Molecular Formula
C2Cl4N2O4
SMILES
C(C([N+](=O)[O-])(Cl)Cl)([N+](=O)[O-])(Cl)Cl
InChI
InChI=1S/C2Cl4N2O4/c3-1(4,7(9)10)2(5,6)8(11)12
InChIKey
VDUMCAJVLOJOCK-UHFFFAOYSA-N
Compound name
1,1,2,2-tetrachloro-1,2-dinitroethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

255.86122 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.86850 152.5
[M+Na]+ 278.85044 157.8
[M-H]- 254.85394 149.2
[M+NH4]+ 273.89504 167.0
[M+K]+ 294.82438 148.4
[M+H-H2O]+ 238.85848 160.9
[M+HCOO]- 300.85942 155.6
[M+CH3COO]- 314.87507 181.0
[M+Na-2H]- 276.83589 159.8
[M]+ 255.86067 150.2
[M]- 255.86177 150.2
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

patents stripe