CID 4368626

1-(4-chlorophenyl)-3-(3,4-dichloroanilino)-1-propanone

Structural Information

Molecular Formula
C15H12Cl3NO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC(=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H12Cl3NO/c16-11-3-1-10(2-4-11)15(20)7-8-19-12-5-6-13(17)14(18)9-12/h1-6,9,19H,7-8H2
InChIKey
UJUVMOJTLUWCDJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(3,4-dichloroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.99844 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.00572 169.4
[M+Na]+ 349.98766 178.6
[M-H]- 325.99116 174.1
[M+NH4]+ 345.03226 184.7
[M+K]+ 365.96160 171.0
[M+H-H2O]+ 309.99570 164.1
[M+HCOO]- 371.99664 178.7
[M+CH3COO]- 386.01229 208.2
[M+Na-2H]- 347.97311 171.5
[M]+ 326.99789 173.3
[M]- 326.99899 173.3
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.