CID 66797735

1255713-68-8

Structural Information

Molecular Formula
C8H5BrFNO2
SMILES
CN1C2=CC(=C(C=C2OC1=O)F)Br
InChI
InChI=1S/C8H5BrFNO2/c1-11-6-2-4(9)5(10)3-7(6)13-8(11)12/h2-3H,1H3
InChIKey
XYYJPHBUMGDAAK-UHFFFAOYSA-N
Compound name
5-bromo-6-fluoro-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

244.94878 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.95606 139.1
[M+Na]+ 267.93800 156.1
[M-H]- 243.94150 146.2
[M+NH4]+ 262.98260 161.5
[M+K]+ 283.91194 146.0
[M+H-H2O]+ 227.94604 139.1
[M+HCOO]- 289.94698 161.0
[M+CH3COO]- 303.96263 188.8
[M+Na-2H]- 265.92345 147.6
[M]+ 244.94823 161.8
[M]- 244.94933 161.8
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

patents stripe