CID 57634072

944805-23-6

Structural Information

Molecular Formula
C7H3BrFNO2
SMILES
C1=C2C(=CC(=C1F)Br)OC(=O)N2
InChI
InChI=1S/C7H3BrFNO2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,(H,10,11)
InChIKey
FVCBRNQTYMAPPS-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

230.93312 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.940396 135.6
[M+Na]+ 253.922338 151.7
[M-H]- 229.925844 141.2
[M+NH4]+ 248.966943 157.6
[M+K]+ 269.896278 141.0
[M+H-H2O]+ 213.930380 135.8
[M+HCOO]- 275.931321 156.4
[M+CH3COO]- 289.946971 152.3
[M+Na-2H]- 251.907786 144.8
[M]+ 230.93257142 155.9
[M]- 230.93366858 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