CID 16319694

1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethan-1-ol

Structural Information

Molecular Formula
C9H6F3NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(F)(F)F)O
InChI
InChI=1S/C9H6F3NO2/c10-9(11,12)7(14)8-13-5-3-1-2-4-6(5)15-8/h1-4,7,14H
InChIKey
OHOLEPTWLPQYIS-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03506 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04234 144.9
[M+Na]+ 240.02428 154.3
[M+NH4]+ 235.06888 150.3
[M+K]+ 255.99822 152.0
[M-H]- 216.02778 142.0
[M+Na-2H]- 238.00973 148.1
[M]+ 217.03451 145.1
[M]- 217.03561 145.1
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

No patent data available for this compound.