CID 9570914

2,3-butanedione, bis(2-chloroethyl)hydrazone

Structural Information

Molecular Formula
C8H14Cl2N2O
SMILES
C/C(=N\N(CCCl)CCCl)/C(=O)C
InChI
InChI=1S/C8H14Cl2N2O/c1-7(8(2)13)11-12(5-3-9)6-4-10/h3-6H2,1-2H3/b11-7+
InChIKey
JBIWWYHSKWNCML-YRNVUSSQSA-N
Compound name
(3E)-3-[bis(2-chloroethyl)hydrazinylidene]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.04832 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.055596 149.9
[M+Na]+ 247.037538 156.5
[M-H]- 223.041044 152.1
[M+NH4]+ 242.082143 170.1
[M+K]+ 263.011478 154.1
[M+H-H2O]+ 207.045580 145.8
[M+HCOO]- 269.046521 166.2
[M+CH3COO]- 283.062171 198.5
[M+Na-2H]- 245.022986 152.3
[M]+ 224.04777142 155.0
[M]- 224.04886858 155.0
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.