CID 57508

Brn 2368977

Structural Information

Molecular Formula
C6H9Cl5N2O
SMILES
C(CCl)N(CCCl)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H9Cl5N2O/c7-1-3-13(4-2-8)12-5(14)6(9,10)11/h1-4H2,(H,12,14)
InChIKey
LNPDHFLPDRDAOH-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N',N'-bis(2-chloroethyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.91574 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.92302 167.1
[M+Na]+ 322.90496 176.1
[M+NH4]+ 317.94956 173.3
[M+K]+ 338.87890 169.7
[M-H]- 298.90846 165.3
[M+Na-2H]- 320.89041 169.3
[M]+ 299.91519 168.8
[M]- 299.91629 168.8
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.