CID 368931

Nsc640339

Structural Information

Molecular Formula
C7H10Cl4N4O4
SMILES
C(C(C(=NNC(=O)C(=O)NN)C(CO)(Cl)Cl)(Cl)Cl)O
InChI
InChI=1S/C7H10Cl4N4O4/c8-6(9,1-16)5(7(10,11)2-17)15-14-4(19)3(18)13-12/h16-17H,1-2,12H2,(H,13,18)(H,14,19)
InChIKey
DDUWTKRLMMNJMC-UHFFFAOYSA-N
Compound name
2-hydrazinyl-2-oxo-N-[(2,2,4,4-tetrachloro-1,5-dihydroxypentan-3-ylidene)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.94562 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.95290 170.8
[M+Na]+ 376.93484 175.3
[M-H]- 352.93834 167.5
[M+NH4]+ 371.97944 182.7
[M+K]+ 392.90878 171.3
[M+H-H2O]+ 336.94288 169.7
[M+HCOO]- 398.94382 172.3
[M+CH3COO]- 412.95947 212.2
[M+Na-2H]- 374.92029 171.7
[M]+ 353.94507 169.3
[M]- 353.94617 169.3
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.