CID 2388902

N,n'-bis(2-fluorophenyl)propanediamide

Structural Information

Molecular Formula
C15H12F2N2O2
SMILES
C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2F)F
InChI
InChI=1S/C15H12F2N2O2/c16-10-5-1-3-7-12(10)18-14(20)9-15(21)19-13-8-4-2-6-11(13)17/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKey
YBFCTDUWOLIFKW-UHFFFAOYSA-N
Compound name
N,N'-bis(2-fluorophenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

290.08667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09395 163.1
[M+Na]+ 313.07589 169.5
[M-H]- 289.07939 167.2
[M+NH4]+ 308.12049 177.6
[M+K]+ 329.04983 165.4
[M+H-H2O]+ 273.08393 153.1
[M+HCOO]- 335.08487 185.9
[M+CH3COO]- 349.10052 205.5
[M+Na-2H]- 311.06134 166.3
[M]+ 290.08612 159.7
[M]- 290.08722 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe