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]+ 196.040446 134.4
[M+Na]+ 218.022388 145.7
[M-H]- 194.025894 136.8
[M+NH4]+ 213.066993 153.7
[M+K]+ 233.996328 143.9
[M+H-H2O]+ 178.030430 127.9
[M+HCOO]- 240.031371 156.2
[M+CH3COO]- 254.047021 179.6
[M+Na-2H]- 216.007836 141.5
[M]+ 195.03262142 137.3
[M]- 195.03371858 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