CID 688892

6-fluorochromone

Structural Information

Molecular Formula
C9H5FO2
SMILES
C1=CC2=C(C=C1F)C(=O)C=CO2
InChI
InChI=1S/C9H5FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKey
WHIGSYZUTMYUAX-UHFFFAOYSA-N
Compound name
6-fluorochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

164.02736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03464 125.2
[M+Na]+ 187.01658 136.4
[M-H]- 163.02008 130.1
[M+NH4]+ 182.06118 146.1
[M+K]+ 202.99052 134.8
[M+H-H2O]+ 147.02462 118.9
[M+HCOO]- 209.02556 148.5
[M+CH3COO]- 223.04121 176.9
[M+Na-2H]- 185.00203 135.7
[M]+ 164.02681 126.4
[M]- 164.02791 126.4
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