CID 19937167

5-fluorobenzoxazole

Structural Information

Molecular Formula
C7H4FNO
SMILES
C1=CC2=C(C=C1F)N=CO2
InChI
InChI=1S/C7H4FNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKey
ZRMPAEOUOPNNPZ-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
Patents

137.0277 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03498 121.2
[M+Na]+ 160.01692 135.6
[M+NH4]+ 155.06152 130.6
[M+K]+ 175.99086 130.9
[M-H]- 136.02042 123.6
[M+Na-2H]- 158.00237 128.6
[M]+ 137.02715 124.0
[M]- 137.02825 124.0
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