CID 10932444

97927-59-8

Structural Information

Molecular Formula
C8H3F2NO3
SMILES
C1=C2C(=CC(=C1F)F)NC(=O)OC2=O
InChI
InChI=1S/C8H3F2NO3/c9-4-1-3-6(2-5(4)10)11-8(13)14-7(3)12/h1-2H,(H,11,13)
InChIKey
NQOJGQBTBYIIDE-UHFFFAOYSA-N
Compound name
6,7-difluoro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

199.0081 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01538 131.6
[M+Na]+ 221.99732 144.9
[M-H]- 198.00082 133.1
[M+NH4]+ 217.04192 149.3
[M+K]+ 237.97126 141.8
[M+H-H2O]+ 182.00536 123.8
[M+HCOO]- 244.00630 151.5
[M+CH3COO]- 258.02195 180.7
[M+Na-2H]- 219.98277 139.9
[M]+ 199.00755 131.5
[M]- 199.00865 131.5
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