CID 9578578

Isobutyric acid, (2,4-dichlorobenzylidene)hydrazide

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
CC(C)C(=O)N/N=C/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O/c1-7(2)11(16)15-14-6-8-3-4-9(12)5-10(8)13/h3-7H,1-2H3,(H,15,16)/b14-6+
InChIKey
XOEZNIFOBFSKDQ-MKMNVTDBSA-N
Compound name
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.03265 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.039926 156.1
[M+Na]+ 281.021868 164.5
[M-H]- 257.025374 160.6
[M+NH4]+ 276.066473 174.7
[M+K]+ 296.995808 159.6
[M+H-H2O]+ 241.029910 151.3
[M+HCOO]- 303.030851 172.5
[M+CH3COO]- 317.046501 200.9
[M+Na-2H]- 279.007316 158.9
[M]+ 258.03210142 159.7
[M]- 258.03319858 159.7
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.