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]+ 259.03993 156.5
[M+Na]+ 281.02187 163.1
[M-H]- 257.02537 160.3
[M+NH4]+ 276.06647 174.5
[M+K]+ 296.99581 158.1
[M+H-H2O]+ 241.02991 151.2
[M+HCOO]- 303.03085 173.0
[M+CH3COO]- 317.04650 198.6
[M+Na-2H]- 279.00732 160.8
[M]+ 258.03210 159.4
[M]- 258.03320 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.