CID 24369

7696-87-9

Structural Information

Molecular Formula
C11H12Cl2N2O
SMILES
C1=CC=C(C=C1)CC(=O)NN=C(CCl)CCl
InChI
InChI=1S/C11H12Cl2N2O/c12-7-10(8-13)14-15-11(16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)
InChIKey
QTIGQSGVHBIPHT-UHFFFAOYSA-N
Compound name
N-(1,3-dichloropropan-2-ylideneamino)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.03265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.039926 156.5
[M+Na]+ 281.021868 163.1
[M-H]- 257.025374 160.3
[M+NH4]+ 276.066473 174.5
[M+K]+ 296.995808 158.1
[M+H-H2O]+ 241.029910 151.2
[M+HCOO]- 303.030851 173.0
[M+CH3COO]- 317.046501 198.6
[M+Na-2H]- 279.007316 160.8
[M]+ 258.03210142 159.4
[M]- 258.03319858 159.4
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.