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]+ 257.009046 151.9
[M+Na]+ 278.990988 157.8
[M-H]- 254.994494 152.5
[M+NH4]+ 274.035593 169.2
[M+K]+ 294.964928 151.9
[M+H-H2O]+ 238.999030 153.2
[M+HCOO]- 300.999971 167.6
[M+CH3COO]- 315.015621 191.5
[M+Na-2H]- 276.976436 155.1
[M]+ 256.00122142 155.9
[M]- 256.00231858 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.