CID 478247

N'-[3,5-bis(trifluoromethyl)phenyl]-n-[4-(trifluoromethyl)phenyl]propanediamide

Structural Information

Molecular Formula
C18H11F9N2O2
SMILES
C1=CC(=CC=C1C(F)(F)F)NC(=O)CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H11F9N2O2/c19-16(20,21)9-1-3-12(4-2-9)28-14(30)8-15(31)29-13-6-10(17(22,23)24)5-11(7-13)18(25,26)27/h1-7H,8H2,(H,28,30)(H,29,31)
InChIKey
WQOMXRSFSQJYCA-UHFFFAOYSA-N
Compound name
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.0677 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.07498 196.5
[M+Na]+ 481.05692 204.4
[M-H]- 457.06042 192.1
[M+NH4]+ 476.10152 204.2
[M+K]+ 497.03086 198.5
[M+H-H2O]+ 441.06496 181.5
[M+HCOO]- 503.06590 205.7
[M+CH3COO]- 517.08155 234.1
[M+Na-2H]- 479.04237 196.2
[M]+ 458.06715 183.8
[M]- 458.06825 183.8
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.