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]+ 182.024796 129.5
[M+Na]+ 204.006738 141.2
[M-H]- 180.010244 132.1
[M+NH4]+ 199.051343 149.4
[M+K]+ 219.980678 139.7
[M+H-H2O]+ 164.014780 123.3
[M+HCOO]- 226.015721 151.7
[M+CH3COO]- 240.031371 176.6
[M+Na-2H]- 201.992186 137.2
[M]+ 181.01697142 132.1
[M]- 181.01806858 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