CID 66797869

5-bromo-6-fluoro-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C7H3BrFNO2
SMILES
C1=C2C(=CC(=C1Br)F)OC(=O)N2
InChI
InChI=1S/C7H3BrFNO2/c8-3-1-5-6(2-4(3)9)12-7(11)10-5/h1-2H,(H,10,11)
InChIKey
FODNOVDORFCKAO-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

230.93312 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.94040 135.6
[M+Na]+ 253.92234 151.7
[M-H]- 229.92584 141.2
[M+NH4]+ 248.96694 157.6
[M+K]+ 269.89628 141.0
[M+H-H2O]+ 213.93038 135.8
[M+HCOO]- 275.93132 156.4
[M+CH3COO]- 289.94697 152.3
[M+Na-2H]- 251.90779 144.8
[M]+ 230.93257 155.9
[M]- 230.93367 155.9
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