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]+ 225.05560 147.8
[M+Na]+ 247.03754 157.3
[M+NH4]+ 242.08214 155.2
[M+K]+ 263.01148 151.4
[M-H]- 223.04104 148.0
[M+Na-2H]- 245.02299 151.3
[M]+ 224.04777 149.4
[M]- 224.04887 149.4
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.