CID 2732983

8-ethoxy-2-(4-fluorophenyl)-3-nitro-2h-chromene

Structural Information

Molecular Formula
C17H14FNO4
SMILES
CCOC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FNO4/c1-2-22-15-5-3-4-12-10-14(19(20)21)16(23-17(12)15)11-6-8-13(18)9-7-11/h3-10,16H,2H2,1H3
InChIKey
BFZXDHIUPNWOMT-UHFFFAOYSA-N
Compound name
8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

8
Patents

315.0907 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.097976 170.3
[M+Na]+ 338.079918 177.6
[M-H]- 314.083424 177.4
[M+NH4]+ 333.124523 183.5
[M+K]+ 354.053858 170.8
[M+H-H2O]+ 298.087960 165.4
[M+HCOO]- 360.088901 191.2
[M+CH3COO]- 374.104551 202.3
[M+Na-2H]- 336.065366 177.3
[M]+ 315.09015142 170.4
[M]- 315.09124858 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe