CID 45051051

853348-41-1

Structural Information

Molecular Formula
C19H13ClFNO2
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)NC3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C19H13ClFNO2/c20-17-4-2-1-3-16(17)18-11-9-15(24-18)10-12-19(23)22-14-7-5-13(21)6-8-14/h1-12H,(H,22,23)/b12-10+
InChIKey
RBJSESNVJRKLPW-ZRDIBKRKSA-N
Compound name
(E)-3-[5-(2-chlorophenyl)furan-2-yl]-N-(4-fluorophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0619 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06918 179.7
[M+Na]+ 364.05112 188.6
[M-H]- 340.05462 189.1
[M+NH4]+ 359.09572 194.0
[M+K]+ 380.02506 182.2
[M+H-H2O]+ 324.05916 171.1
[M+HCOO]- 386.06010 198.7
[M+CH3COO]- 400.07575 191.2
[M+Na-2H]- 362.03657 181.2
[M]+ 341.06135 181.8
[M]- 341.06245 181.8
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.