CID 479979

N,n'-bis(4-fluorophenyl)butanediamide

Structural Information

Molecular Formula
C16H14F2N2O2
SMILES
C1=CC(=CC=C1NC(=O)CCC(=O)NC2=CC=C(C=C2)F)F
InChI
InChI=1S/C16H14F2N2O2/c17-11-1-5-13(6-2-11)19-15(21)9-10-16(22)20-14-7-3-12(18)4-8-14/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKey
NXRDDEZZRFPHAD-UHFFFAOYSA-N
Compound name
N,N'-bis(4-fluorophenyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.10233 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10961 167.7
[M+Na]+ 327.09155 173.7
[M-H]- 303.09505 171.6
[M+NH4]+ 322.13615 181.6
[M+K]+ 343.06549 169.3
[M+H-H2O]+ 287.09959 157.5
[M+HCOO]- 349.10053 190.1
[M+CH3COO]- 363.11618 208.5
[M+Na-2H]- 325.07700 170.3
[M]+ 304.10178 164.7
[M]- 304.10288 164.7
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.