CID 9568691

16383-62-3

Structural Information

Molecular Formula
C6H3Cl2N3O2
SMILES
C\1=C/C(=N\Cl)/C(=C/C1=N/Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H3Cl2N3O2/c7-9-4-1-2-5(10-8)6(3-4)11(12)13/h1-3H/b9-4+,10-5+
InChIKey
ORWDXWWPKIWJHP-LUZURFALSA-N
Compound name
1-N,4-N-dichloro-2-nitrocyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.96024 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.96752 143.2
[M+Na]+ 241.94946 151.6
[M-H]- 217.95296 148.5
[M+NH4]+ 236.99406 162.6
[M+K]+ 257.92340 144.3
[M+H-H2O]+ 201.95750 143.3
[M+HCOO]- 263.95844 163.7
[M+CH3COO]- 277.97409 186.4
[M+Na-2H]- 239.93491 150.7
[M]+ 218.95969 143.8
[M]- 218.96079 143.9
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

No patent data available for this compound.