CID 367930

Nsc638129

Structural Information

Molecular Formula
C9H5FO2
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)F
InChI
InChI=1S/C9H5FO2/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKey
XRJUWENYVQKCDW-UHFFFAOYSA-N
Compound name
3-fluorochromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

265
Patents

164.02736 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.