CID 129978053

(6-fluorobenzo[d]isoxazol-3-yl)methanol

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]+ 168.04553 129.7
[M+Na]+ 190.02747 143.1
[M+NH4]+ 185.07207 137.8
[M+K]+ 206.00141 139.2
[M-H]- 166.03097 131.0
[M+Na-2H]- 188.01292 135.4
[M]+ 167.03770 131.9
[M]- 167.03880 131.9
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.