CID 36424

Brn 1770031

Structural Information

Molecular Formula
C6H12Cl2N2O
SMILES
C(CCl)C(CCCl)C(=O)NN
InChI
InChI=1S/C6H12Cl2N2O/c7-3-1-5(2-4-8)6(11)10-9/h5H,1-4,9H2,(H,10,11)
InChIKey
YPIMAYXXIOESDI-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-chloroethyl)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.03267 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.03995 142.4
[M+Na]+ 221.02189 148.9
[M-H]- 197.02539 141.4
[M+NH4]+ 216.06649 162.0
[M+K]+ 236.99583 145.0
[M+H-H2O]+ 181.02993 139.1
[M+HCOO]- 243.03087 156.5
[M+CH3COO]- 257.04652 186.8
[M+Na-2H]- 219.00734 144.9
[M]+ 198.03212 143.1
[M]- 198.03322 143.1
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.