CID 91636204

1440535-66-9

Structural Information

Molecular Formula
C8H3BrFNO3
SMILES
C1=C2C(=CC(=C1Br)F)NC(=O)OC2=O
InChI
InChI=1S/C8H3BrFNO3/c9-4-1-3-6(2-5(4)10)11-8(13)14-7(3)12/h1-2H,(H,11,13)
InChIKey
KSIGHJQLNMQVPU-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

258.92804 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.93532 139.7
[M+Na]+ 281.91726 155.1
[M-H]- 257.92076 145.0
[M+NH4]+ 276.96186 158.7
[M+K]+ 297.89120 144.2
[M+H-H2O]+ 241.92530 138.9
[M+HCOO]- 303.92624 158.2
[M+CH3COO]- 317.94189 188.1
[M+Na-2H]- 279.90271 149.2
[M]+ 258.92749 159.3
[M]- 258.92859 159.3
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