CID 335808

Nsc347195

Structural Information

Molecular Formula
C9H8FNO3
SMILES
COC1C2=C(C(=CC=C2)F)OC(=O)N1
InChI
InChI=1S/C9H8FNO3/c1-13-8-5-3-2-4-6(10)7(5)14-9(12)11-8/h2-4,8H,1H3,(H,11,12)
InChIKey
LEWMHQXLHFEVIJ-UHFFFAOYSA-N
Compound name
8-fluoro-4-methoxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.04883 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.056106 137.0
[M+Na]+ 220.038048 146.5
[M-H]- 196.041554 138.6
[M+NH4]+ 215.082653 154.4
[M+K]+ 236.011988 144.7
[M+H-H2O]+ 180.046090 129.8
[M+HCOO]- 242.047031 154.6
[M+CH3COO]- 256.062681 181.0
[M+Na-2H]- 218.023496 144.2
[M]+ 197.04828142 135.8
[M]- 197.04937858 135.8
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

No patent data available for this compound.