CID 6445150

Brn 1553372

Structural Information

Molecular Formula
C16H12F2N2O4
SMILES
C1=C(C=NC=C1F)COC(=O)/C=C/C(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C16H12F2N2O4/c17-13-3-11(5-19-7-13)9-23-15(21)1-2-16(22)24-10-12-4-14(18)8-20-6-12/h1-8H,9-10H2/b2-1+
InChIKey
MPPPZEIKEIFAGL-OWOJBTEDSA-N
Compound name
bis[(5-fluoropyridin-3-yl)methyl] (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0765 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.08378 175.8
[M+Na]+ 357.06572 186.6
[M+NH4]+ 352.11032 179.2
[M+K]+ 373.03966 181.1
[M-H]- 333.06922 173.8
[M+Na-2H]- 355.05117 180.7
[M]+ 334.07595 176.3
[M]- 334.07705 176.3
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.