CID 45050949

853347-56-5

Structural Information

Molecular Formula
C16H10F3NO3
SMILES
COC(=O)/C(=C/C1=CC=C(O1)C2=CC=CC=C2C(F)(F)F)/C#N
InChI
InChI=1S/C16H10F3NO3/c1-22-15(21)10(9-20)8-11-6-7-14(23-11)12-4-2-3-5-13(12)16(17,18)19/h2-8H,1H3/b10-8+
InChIKey
NORCGYDXMJGIRQ-CSKARUKUSA-N
Compound name
methyl (E)-2-cyano-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.06128 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.06856 176.6
[M+Na]+ 344.05050 185.5
[M+NH4]+ 339.09510 177.5
[M+K]+ 360.02444 178.5
[M-H]- 320.05400 167.5
[M+Na-2H]- 342.03595 176.8
[M]+ 321.06073 174.3
[M]- 321.06183 174.3
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.