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

37
Patents

185.02884 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.036116 132.3
[M+Na]+ 208.018058 142.5
[M-H]- 184.021564 132.7
[M+NH4]+ 203.062663 150.3
[M+K]+ 223.991998 139.8
[M+H-H2O]+ 168.026100 124.6
[M+HCOO]- 230.027041 149.0
[M+CH3COO]- 244.042691 178.6
[M+Na-2H]- 206.003506 139.4
[M]+ 185.02829142 128.2
[M]- 185.02938858 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