CID 302897

398-63-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

112
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

literature stripe

Patent stripe

patents stripe