CID 4530690

477334-01-3

Structural Information

Molecular Formula
C16H15Cl2NO
SMILES
CC1=C(C=C(C=C1)NCCC(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H15Cl2NO/c1-11-2-7-14(10-15(11)18)19-9-8-16(20)12-3-5-13(17)6-4-12/h2-7,10,19H,8-9H2,1H3
InChIKey
LWVDGIJJEKCHOA-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylanilino)-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.05307 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.06035 168.1
[M+Na]+ 330.04229 177.0
[M-H]- 306.04579 174.1
[M+NH4]+ 325.08689 184.2
[M+K]+ 346.01623 169.8
[M+H-H2O]+ 290.05033 162.0
[M+HCOO]- 352.05127 182.5
[M+CH3COO]- 366.06692 206.4
[M+Na-2H]- 328.02774 170.7
[M]+ 307.05252 172.0
[M]- 307.05362 172.0
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.