CID 689114

6-fluoro-8-nitrochromone-3-carboxaldehyde

Structural Information

Molecular Formula
C10H4FNO5
SMILES
C1=C(C=C(C2=C1C(=O)C(=CO2)C=O)[N+](=O)[O-])F
InChI
InChI=1S/C10H4FNO5/c11-6-1-7-9(14)5(3-13)4-17-10(7)8(2-6)12(15)16/h1-4H
InChIKey
MFTIKIFELZBYLH-UHFFFAOYSA-N
Compound name
6-fluoro-8-nitro-4-oxochromene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

237.00735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.01463 141.4
[M+Na]+ 259.99657 152.2
[M-H]- 236.00007 146.6
[M+NH4]+ 255.04117 158.4
[M+K]+ 275.97051 146.7
[M+H-H2O]+ 220.00461 138.9
[M+HCOO]- 282.00555 165.5
[M+CH3COO]- 296.02120 185.1
[M+Na-2H]- 257.98202 151.2
[M]+ 237.00680 143.3
[M]- 237.00790 143.3
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

patents stripe