CID 135804806

14445-79-5

Structural Information

Molecular Formula
C7H2ClNO4
SMILES
C(=C1C(=O)C(=O)[C+](C(=O)C1=O)Cl)[NH-]
InChI
InChI=1S/C7H2ClNO4/c8-3-6(12)4(10)2(1-9)5(11)7(3)13/h1H,(H-,9,10,11)
InChIKey
CAICYLOASRWSCQ-UHFFFAOYSA-N
Compound name
(4-chloro-2,3,5,6-tetraoxocyclohexylidene)methylazanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.96724 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97452 136.0
[M+Na]+ 221.95646 146.0
[M-H]- 197.95996 138.8
[M+NH4]+ 217.00106 155.2
[M+K]+ 237.93040 136.9
[M+H-H2O]+ 181.96450 137.7
[M+HCOO]- 243.96544 154.0
[M+CH3COO]- 257.98109 173.3
[M+Na-2H]- 219.94191 140.3
[M]+ 198.96669 132.2
[M]- 198.96779 132.2
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

No patent data available for this compound.