CID 85024

15618-76-5

Structural Information

Molecular Formula
C6H8Cl2N2O4
SMILES
C(CN(CCC(=O)Cl)[N+](=O)[O-])C(=O)Cl
InChI
InChI=1S/C6H8Cl2N2O4/c7-5(11)1-3-9(10(13)14)4-2-6(8)12/h1-4H2
InChIKey
QRYWNKCZHYEOKG-UHFFFAOYSA-N
Compound name
3-[(3-chloro-3-oxopropyl)-nitroamino]propanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.98611 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.99339 147.1
[M+Na]+ 264.97533 153.3
[M-H]- 240.97883 147.8
[M+NH4]+ 260.01993 164.8
[M+K]+ 280.94927 147.7
[M+H-H2O]+ 224.98337 148.5
[M+HCOO]- 286.98431 163.1
[M+CH3COO]- 300.99996 188.5
[M+Na-2H]- 262.96078 150.7
[M]+ 241.98556 150.7
[M]- 241.98666 150.7
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.