CID 45051039

853348-32-0

Structural Information

Molecular Formula
C20H13ClF3NO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)NC3=CC=CC=C3C(F)(F)F)Cl
InChI
InChI=1S/C20H13ClF3NO2/c21-16-7-3-1-5-14(16)18-11-9-13(27-18)10-12-19(26)25-17-8-4-2-6-15(17)20(22,23)24/h1-12H,(H,25,26)/b12-10+
InChIKey
JRZBBPXSTRSDKM-ZRDIBKRKSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.0587 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.06598 189.4
[M+Na]+ 414.04792 198.5
[M-H]- 390.05142 196.3
[M+NH4]+ 409.09252 201.7
[M+K]+ 430.02186 191.5
[M+H-H2O]+ 374.05596 179.3
[M+HCOO]- 436.05690 204.4
[M+CH3COO]- 450.07255 217.6
[M+Na-2H]- 412.03337 190.3
[M]+ 391.05815 189.3
[M]- 391.05925 189.3
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.