CID 45051358

853351-18-5

Structural Information

Molecular Formula
C19H13FN2O4
SMILES
C1=CC=C(C(=C1)NC(=O)/C=C/C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])F
InChI
InChI=1S/C19H13FN2O4/c20-16-6-1-2-7-17(16)21-19(23)11-9-15-8-10-18(26-15)13-4-3-5-14(12-13)22(24)25/h1-12H,(H,21,23)/b11-9+
InChIKey
XRHRIZZPLXMHIK-PKNBQFBNSA-N
Compound name
(E)-N-(2-fluorophenyl)-3-[5-(3-nitrophenyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.08594 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.09322 181.2
[M+Na]+ 375.07516 186.8
[M-H]- 351.07866 190.5
[M+NH4]+ 370.11976 192.6
[M+K]+ 391.04910 178.7
[M+H-H2O]+ 335.08320 175.9
[M+HCOO]- 397.08414 205.5
[M+CH3COO]- 411.09979 207.2
[M+Na-2H]- 373.06061 185.1
[M]+ 352.08539 179.4
[M]- 352.08649 179.4
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.