CID 38281

39498-67-4

Structural Information

Molecular Formula
C7H10Cl2N2O4
SMILES
C(CN(CC(=O)CCl)[N+](=O)[O-])C(=O)CCl
InChI
InChI=1S/C7H10Cl2N2O4/c8-3-6(12)1-2-10(11(14)15)5-7(13)4-9/h1-5H2
InChIKey
REHIJDHUXKPVLK-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-oxobutyl)-N-(3-chloro-2-oxopropyl)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00177 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.00905 151.9
[M+Na]+ 278.99099 157.8
[M-H]- 254.99449 152.5
[M+NH4]+ 274.03559 169.2
[M+K]+ 294.96493 151.9
[M+H-H2O]+ 238.99903 153.2
[M+HCOO]- 300.99997 167.6
[M+CH3COO]- 315.01562 191.5
[M+Na-2H]- 276.97644 155.1
[M]+ 256.00122 155.9
[M]- 256.00232 155.9
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.