CID 211861

Brn 1555329

Structural Information

Molecular Formula
C16H14F2N2O4
SMILES
C1=C(C=NC=C1F)COC(=O)CCC(=O)OCC2=CC(=CN=C2)F
InChI
InChI=1S/C16H14F2N2O4/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/h3-8H,1-2,9-10H2
InChIKey
WCIUERFMSGZIJE-UHFFFAOYSA-N
Compound name
bis[(5-fluoropyridin-3-yl)methyl] butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09216 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09944 176.5
[M+Na]+ 359.08138 187.2
[M+NH4]+ 354.12598 180.1
[M+K]+ 375.05532 181.8
[M-H]- 335.08488 174.7
[M+Na-2H]- 357.06683 181.5
[M]+ 336.09161 177.1
[M]- 336.09271 177.1
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.