CID 22625608

7-fluoro-6-iodo-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H5FINO2
SMILES
C1C(=O)NC2=CC(=C(C=C2O1)F)I
InChI
InChI=1S/C8H5FINO2/c9-4-1-7-6(2-5(4)10)11-8(12)3-13-7/h1-2H,3H2,(H,11,12)
InChIKey
NOROHZUUWZNZGX-UHFFFAOYSA-N
Compound name
7-fluoro-6-iodo-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

292.9349 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.94218 138.4
[M+Na]+ 315.92412 140.9
[M-H]- 291.92762 132.9
[M+NH4]+ 310.96872 151.4
[M+K]+ 331.89806 144.4
[M+H-H2O]+ 275.93216 127.9
[M+HCOO]- 337.93310 151.2
[M+CH3COO]- 351.94875 187.4
[M+Na-2H]- 313.90957 133.9
[M]+ 292.93435 133.1
[M]- 292.93545 133.1
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