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]+ 168.04553 127.1
[M+Na]+ 190.02747 139.0
[M-H]- 166.03097 129.6
[M+NH4]+ 185.07207 147.9
[M+K]+ 206.00141 137.0
[M+H-H2O]+ 150.03551 120.9
[M+HCOO]- 212.03645 149.9
[M+CH3COO]- 226.05210 142.2
[M+Na-2H]- 188.01292 136.0
[M]+ 167.03770 129.6
[M]- 167.03880 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.