CID 9570872

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

Structural Information

Molecular Formula
C12H22Cl4N4
SMILES
C/C(=N\N(CCCl)CCCl)/C(=N/N(CCCl)CCCl)/C
InChI
InChI=1S/C12H22Cl4N4/c1-11(17-19(7-3-13)8-4-14)12(2)18-20(9-5-15)10-6-16/h3-10H2,1-2H3/b17-11+,18-12+
InChIKey
UFTHROOBBSJMGT-JYFOCSDGSA-N
Compound name
N-[(E)-[(3E)-3-[bis(2-chloroethyl)hydrazinylidene]butan-2-ylidene]amino]-2-chloro-N-(2-chloroethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05984 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06712 191.8
[M+Na]+ 385.04906 195.4
[M-H]- 361.05256 192.9
[M+NH4]+ 380.09366 206.5
[M+K]+ 401.02300 191.7
[M+H-H2O]+ 345.05710 187.0
[M+HCOO]- 407.05804 199.2
[M+CH3COO]- 421.07369 231.6
[M+Na-2H]- 383.03451 189.1
[M]+ 362.05929 197.4
[M]- 362.06039 197.4
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.