CID 55252814

865106-47-4

Structural Information

Molecular Formula
C8H5F2NO2
SMILES
C1C(=O)NC2=C(O1)C(=CC(=C2)F)F
InChI
InChI=1S/C8H5F2NO2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3H2,(H,11,12)
InChIKey
WNXKEIFWEKFERH-UHFFFAOYSA-N
Compound name
6,8-difluoro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

185.02884 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03612 132.3
[M+Na]+ 208.01806 142.5
[M-H]- 184.02156 132.7
[M+NH4]+ 203.06266 150.3
[M+K]+ 223.99200 139.8
[M+H-H2O]+ 168.02610 124.6
[M+HCOO]- 230.02704 149.0
[M+CH3COO]- 244.04269 178.6
[M+Na-2H]- 206.00351 139.4
[M]+ 185.02829 128.2
[M]- 185.02939 128.2
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