CID 129978053

1824320-96-8

Structural Information

Molecular Formula
C8H6FNO2
SMILES
C1=CC2=C(C=C1F)ON=C2CO
InChI
InChI=1S/C8H6FNO2/c9-5-1-2-6-7(4-11)10-12-8(6)3-5/h1-3,11H,4H2
InChIKey
OJAGFQKJZJQNAC-UHFFFAOYSA-N
Compound name
(6-fluoro-1,2-benzoxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.03825 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.045526 127.1
[M+Na]+ 190.027468 139.0
[M-H]- 166.030974 129.6
[M+NH4]+ 185.072073 147.9
[M+K]+ 206.001408 137.0
[M+H-H2O]+ 150.035510 120.9
[M+HCOO]- 212.036451 149.9
[M+CH3COO]- 226.052101 142.2
[M+Na-2H]- 188.012916 136.0
[M]+ 167.03770142 129.6
[M]- 167.03879858 129.6
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.