CID 81357822

1500497-54-0

Structural Information

Molecular Formula
C10H4F5NO3
SMILES
C1=CC2=C(C=C1C(=O)O)OC(=N2)C(C(F)(F)F)(F)F
InChI
InChI=1S/C10H4F5NO3/c11-9(12,10(13,14)15)8-16-5-2-1-4(7(17)18)3-6(5)19-8/h1-3H,(H,17,18)
InChIKey
ISVDEXHXRFMSOI-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,2-pentafluoroethyl)-1,3-benzoxazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.01114 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.01842 150.7
[M+Na]+ 304.00036 162.5
[M-H]- 280.00386 148.2
[M+NH4]+ 299.04496 166.4
[M+K]+ 319.97430 159.7
[M+H-H2O]+ 264.00840 141.6
[M+HCOO]- 326.00934 164.6
[M+CH3COO]- 340.02499 194.1
[M+Na-2H]- 301.98581 156.8
[M]+ 281.01059 148.0
[M]- 281.01169 148.0
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.