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]+ 198.05611 137.0
[M+Na]+ 220.03805 146.5
[M-H]- 196.04155 138.6
[M+NH4]+ 215.08265 154.4
[M+K]+ 236.01199 144.7
[M+H-H2O]+ 180.04609 129.8
[M+HCOO]- 242.04703 154.6
[M+CH3COO]- 256.06268 181.0
[M+Na-2H]- 218.02350 144.2
[M]+ 197.04828 135.8
[M]- 197.04938 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.