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 149.9
[M+Na]+ 247.03754 156.5
[M-H]- 223.04104 152.1
[M+NH4]+ 242.08214 170.1
[M+K]+ 263.01148 154.1
[M+H-H2O]+ 207.04558 145.8
[M+HCOO]- 269.04652 166.2
[M+CH3COO]- 283.06217 198.5
[M+Na-2H]- 245.02299 152.3
[M]+ 224.04777 155.0
[M]- 224.04887 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.