CID 3284842

N(1),n(6)-bis(2-fluorophenyl)hexanediamide

Structural Information

Molecular Formula
C18H18F2N2O2
SMILES
C1=CC=C(C(=C1)NC(=O)CCCCC(=O)NC2=CC=CC=C2F)F
InChI
InChI=1S/C18H18F2N2O2/c19-13-7-1-3-9-15(13)21-17(23)11-5-6-12-18(24)22-16-10-4-2-8-14(16)20/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)
InChIKey
BAINHOWETYWGAT-UHFFFAOYSA-N
Compound name
N,N'-bis(2-fluorophenyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.13364 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14092 176.9
[M+Na]+ 355.12286 181.9
[M-H]- 331.12636 180.4
[M+NH4]+ 350.16746 189.6
[M+K]+ 371.09680 177.1
[M+H-H2O]+ 315.13090 166.2
[M+HCOO]- 377.13184 198.6
[M+CH3COO]- 391.14749 214.5
[M+Na-2H]- 353.10831 178.4
[M]+ 332.13309 174.5
[M]- 332.13419 174.5
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.