CID 24368

Nsc 91446

Structural Information

Molecular Formula
C8H12Cl2N2O
SMILES
C=C(CC(CC(=C)Cl)C(=O)NN)Cl
InChI
InChI=1S/C8H12Cl2N2O/c1-5(9)3-7(4-6(2)10)8(13)12-11/h7H,1-4,11H2,(H,12,13)
InChIKey
GMRFVNLCEBYJID-UHFFFAOYSA-N
Compound name
4-chloro-2-(2-chloroprop-2-enyl)pent-4-enehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.03267 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03995 149.3
[M+Na]+ 245.02189 155.2
[M-H]- 221.02539 148.4
[M+NH4]+ 240.06649 167.8
[M+K]+ 260.99583 150.6
[M+H-H2O]+ 205.02993 146.2
[M+HCOO]- 267.03087 161.4
[M+CH3COO]- 281.04652 192.8
[M+Na-2H]- 243.00734 148.5
[M]+ 222.03212 148.4
[M]- 222.03322 148.4
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.