CID 55253689

894789-43-6

Structural Information

Molecular Formula
C8H4FNO3
SMILES
C1=CC2=C(C=C1F)ON=C2C(=O)O
InChI
InChI=1S/C8H4FNO3/c9-4-1-2-5-6(3-4)13-10-7(5)8(11)12/h1-3H,(H,11,12)
InChIKey
HROCHLQLWNRYQX-UHFFFAOYSA-N
Compound name
6-fluoro-1,2-benzoxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

181.01752 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.02480 129.5
[M+Na]+ 204.00674 141.2
[M-H]- 180.01024 132.1
[M+NH4]+ 199.05134 149.4
[M+K]+ 219.98068 139.7
[M+H-H2O]+ 164.01478 123.3
[M+HCOO]- 226.01572 151.7
[M+CH3COO]- 240.03137 176.6
[M+Na-2H]- 201.99219 137.2
[M]+ 181.01697 132.1
[M]- 181.01807 132.1
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