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 164.8
[M+Na]+ 322.90496 170.5
[M-H]- 298.90846 161.5
[M+NH4]+ 317.94956 179.7
[M+K]+ 338.87890 166.4
[M+H-H2O]+ 282.91300 163.0
[M+HCOO]- 344.91394 162.7
[M+CH3COO]- 358.92959 206.7
[M+Na-2H]- 320.89041 164.8
[M]+ 299.91519 164.6
[M]- 299.91629 164.6
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.