CID 20060835

1586034-83-4

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]+ 169.040786 126.7
[M+Na]+ 191.022728 139.3
[M-H]- 167.026234 129.2
[M+NH4]+ 186.067333 147.0
[M+K]+ 206.996668 136.4
[M+H-H2O]+ 151.030770 120.5
[M+HCOO]- 213.031711 150.3
[M+CH3COO]- 227.047361 141.7
[M+Na-2H]- 189.008176 134.6
[M]+ 168.03296142 126.8
[M]- 168.03405858 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

patents stripe