CID 4695680

1-(4-chlorophenyl)-3-(4-iodoanilino)-1-propanone

Structural Information

Molecular Formula
C15H13ClINO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)I)Cl
InChI
InChI=1S/C15H13ClINO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,18H,9-10H2
InChIKey
HDDILZBRCDKRJZ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-iodoanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.97305 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.98033 172.1
[M+Na]+ 407.96227 172.5
[M-H]- 383.96577 171.0
[M+NH4]+ 403.00687 183.6
[M+K]+ 423.93621 172.6
[M+H-H2O]+ 367.97031 161.3
[M+HCOO]- 429.97125 186.6
[M+CH3COO]- 443.98690 208.1
[M+Na-2H]- 405.94772 164.2
[M]+ 384.97250 171.1
[M]- 384.97360 171.1
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.