CID 726332

304896-32-0

Structural Information

Molecular Formula
C15H10FNO3
SMILES
COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)F)/C#N
InChI
InChI=1S/C15H10FNO3/c1-19-15(18)11(9-17)8-13-6-7-14(20-13)10-2-4-12(16)5-3-10/h2-8H,1H3/b11-8+
InChIKey
DQUZXAPJGTUJOU-DHZHZOJOSA-N
Compound name
methyl (E)-2-cyano-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06448 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07176 162.8
[M+Na]+ 294.05370 174.0
[M+NH4]+ 289.09830 165.7
[M+K]+ 310.02764 166.6
[M-H]- 270.05720 157.2
[M+Na-2H]- 292.03915 165.1
[M]+ 271.06393 161.8
[M]- 271.06503 161.8
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.