CID 15318

Methane, dichlorodinitro-

Structural Information

Molecular Formula
CCl2N2O4
SMILES
C([N+](=O)[O-])([N+](=O)[O-])(Cl)Cl
InChI
InChI=1S/CCl2N2O4/c2-1(3,4(6)7)5(8)9
InChIKey
VLWDJCZBZPKOGX-UHFFFAOYSA-N
Compound name
dichloro(dinitro)methane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

12
Patents

173.92351 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.93079 130.1
[M+Na]+ 196.91273 137.6
[M-H]- 172.91623 129.9
[M+NH4]+ 191.95733 149.0
[M+K]+ 212.88667 128.5
[M+H-H2O]+ 156.92077 137.7
[M+HCOO]- 218.92171 146.2
[M+CH3COO]- 232.93736 165.4
[M+Na-2H]- 194.89818 140.3
[M]+ 173.92296 129.2
[M]- 173.92406 129.2
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