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 164.6
[M+Na]+ 304.00036 170.6
[M+NH4]+ 299.04496 166.7
[M+K]+ 319.97430 169.3
[M-H]- 280.00386 158.1
[M+Na-2H]- 301.98581 164.7
[M]+ 281.01059 163.2
[M]- 281.01169 163.2
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.