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

literature stripe

Patent stripe

patents stripe