CID 4425397

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

Structural Information

Molecular Formula
C15H13FINO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)I)F
InChI
InChI=1S/C15H13FINO/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
IKXJHVPZOFEVRR-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-iodoanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.00988 169.4
[M+Na]+ 391.99182 169.1
[M-H]- 367.99532 167.2
[M+NH4]+ 387.03642 180.6
[M+K]+ 407.96576 170.5
[M+H-H2O]+ 351.99986 157.0
[M+HCOO]- 414.00080 187.1
[M+CH3COO]- 428.01645 207.1
[M+Na-2H]- 389.97727 161.3
[M]+ 369.00205 165.2
[M]- 369.00315 165.2
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.