CID 20060835

5-amino-6-fluoro-2,3-dihydro-1,3-benzoxazol-2-one

Structural Information

Molecular Formula
C7H5FN2O2
SMILES
C1=C(C(=CC2=C1NC(=O)O2)F)N
InChI
InChI=1S/C7H5FN2O2/c8-3-1-6-5(2-4(3)9)10-7(11)12-6/h1-2H,9H2,(H,10,11)
InChIKey
KTTTVYDDGYJIHE-UHFFFAOYSA-N
Compound name
5-amino-6-fluoro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.03351 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04079 126.7
[M+Na]+ 191.02273 139.3
[M-H]- 167.02623 129.2
[M+NH4]+ 186.06733 147.0
[M+K]+ 206.99667 136.4
[M+H-H2O]+ 151.03077 120.5
[M+HCOO]- 213.03171 150.3
[M+CH3COO]- 227.04736 141.7
[M+Na-2H]- 189.00818 134.6
[M]+ 168.03296 126.8
[M]- 168.03406 126.8
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

No patent data available for this compound.