CID 15516

1682-39-9

Structural Information

Molecular Formula
C7H5FN2O
SMILES
C1=CC2=C(C=C1F)N=C(O2)N
InChI
InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey
PFPSBRGOJCFWKD-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

152.03859 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04587 123.5
[M+Na]+ 175.02781 135.5
[M-H]- 151.03131 126.9
[M+NH4]+ 170.07241 145.0
[M+K]+ 191.00175 133.6
[M+H-H2O]+ 135.03585 116.9
[M+HCOO]- 197.03679 148.3
[M+CH3COO]- 211.05244 138.9
[M+Na-2H]- 173.01326 132.7
[M]+ 152.03804 124.3
[M]- 152.03914 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe