CID 13731295

103361-99-5

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1C(=O)NC2=C(O1)C=C(C=C2)F
InChI
InChI=1S/C8H6FNO2/c9-5-1-2-6-7(3-5)12-4-8(11)10-6/h1-3H,4H2,(H,10,11)
InChIKey
TXRXHEOGQVPEBT-UHFFFAOYSA-N
Compound name
7-fluoro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

334
Patents

167.03825 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04553 132.0
[M+Na]+ 190.02747 144.7
[M+NH4]+ 185.07207 140.0
[M+K]+ 206.00141 138.9
[M-H]- 166.03097 133.5
[M+Na-2H]- 188.01292 136.9
[M]+ 167.03770 134.0
[M]- 167.03880 134.0
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