CID 15562920

59899-90-0

Structural Information

Molecular Formula
C9H6FNO3
SMILES
C1=CC2=C(C=C1F)C(=NO2)CC(=O)O
InChI
InChI=1S/C9H6FNO3/c10-5-1-2-8-6(3-5)7(11-14-8)4-9(12)13/h1-3H,4H2,(H,12,13)
InChIKey
VSMUFSQKMIXFMR-UHFFFAOYSA-N
Compound name
2-(5-fluoro-1,2-benzoxazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.03317 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04045 134.4
[M+Na]+ 218.02239 145.7
[M-H]- 194.02589 136.8
[M+NH4]+ 213.06699 153.7
[M+K]+ 233.99633 143.9
[M+H-H2O]+ 178.03043 127.9
[M+HCOO]- 240.03137 156.2
[M+CH3COO]- 254.04702 179.6
[M+Na-2H]- 216.00784 141.5
[M]+ 195.03262 137.3
[M]- 195.03372 137.3
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