CID 4523038

882748-60-9

Structural Information

Molecular Formula
C15H12Cl2N2O3
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC(=C(C=C2)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H12Cl2N2O3/c16-11-3-1-10(2-4-11)15(20)7-8-18-12-5-6-13(17)14(9-12)19(21)22/h1-6,9,18H,7-8H2
InChIKey
KHWQQCOUBJTDSG-UHFFFAOYSA-N
Compound name
3-(4-chloro-3-nitroanilino)-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0225 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02978 172.5
[M+Na]+ 361.01172 187.9
[M+NH4]+ 356.05632 180.5
[M+K]+ 376.98566 181.9
[M-H]- 337.01522 178.1
[M+Na-2H]- 358.99717 180.6
[M]+ 338.02195 176.8
[M]- 338.02305 176.8
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.