CID 42609147

868271-13-0

Structural Information

Molecular Formula
C7H5FN2O
SMILES
C1=CC2=C(C=C1F)C(=NO2)N
InChI
InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKey
MBKJAWUGNSKUIU-UHFFFAOYSA-N
Compound name
5-fluoro-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

152.03859 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.045866 123.5
[M+Na]+ 175.027808 135.5
[M-H]- 151.031314 126.9
[M+NH4]+ 170.072413 145.0
[M+K]+ 191.001748 133.6
[M+H-H2O]+ 135.035850 116.9
[M+HCOO]- 197.036791 148.3
[M+CH3COO]- 211.052441 138.9
[M+Na-2H]- 173.013256 132.7
[M]+ 152.03804142 124.3
[M]- 152.03913858 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

No literature data available for this compound.

Patent stripe

patents stripe