CID 54758768

1221502-66-4

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1C(=O)NC2=C(O1)C=CC=C2F
InChI
InChI=1S/C8H6FNO2/c9-5-2-1-3-6-8(5)10-7(11)4-12-6/h1-3H,4H2,(H,10,11)
InChIKey
PPGFMQYLGBSWLA-UHFFFAOYSA-N
Compound name
5-fluoro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
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 129.2
[M+Na]+ 190.02747 138.4
[M-H]- 166.03097 130.6
[M+NH4]+ 185.07207 147.7
[M+K]+ 206.00141 136.2
[M+H-H2O]+ 150.03551 122.2
[M+HCOO]- 212.03645 147.0
[M+CH3COO]- 226.05210 174.6
[M+Na-2H]- 188.01292 137.6
[M]+ 167.03770 125.8
[M]- 167.03880 125.8
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