CID 9578578

Brn 1974220

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]+ 259.03993 156.1
[M+Na]+ 281.02187 164.5
[M-H]- 257.02537 160.6
[M+NH4]+ 276.06647 174.7
[M+K]+ 296.99581 159.6
[M+H-H2O]+ 241.02991 151.3
[M+HCOO]- 303.03085 172.5
[M+CH3COO]- 317.04650 200.9
[M+Na-2H]- 279.00732 158.9
[M]+ 258.03210 159.7
[M]- 258.03320 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.