CID 12206346

2,2-dichloro-n-(4-chlorophenyl)-3-oxo-3-phenylpropanamide

Structural Information

Molecular Formula
C15H10Cl3NO2
SMILES
C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=C(C=C2)Cl)(Cl)Cl
InChI
InChI=1S/C15H10Cl3NO2/c16-11-6-8-12(9-7-11)19-14(21)15(17,18)13(20)10-4-2-1-3-5-10/h1-9H,(H,19,21)
InChIKey
NYVXFUCPSANXPE-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-(4-chlorophenyl)-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.97772 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.98500 170.9
[M+Na]+ 363.96694 178.7
[M-H]- 339.97044 175.8
[M+NH4]+ 359.01154 185.1
[M+K]+ 379.94088 172.0
[M+H-H2O]+ 323.97498 165.8
[M+HCOO]- 385.97592 178.3
[M+CH3COO]- 399.99157 207.7
[M+Na-2H]- 361.95239 174.2
[M]+ 340.97717 173.9
[M]- 340.97827 173.9
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

patents stripe