CID 136029785

3-(trifluoromethyl)-1,2-benzoxazol-6-ol

Structural Information

Molecular Formula
C8H4F3NO2
SMILES
C1=CC2=C(C=C1O)ON=C2C(F)(F)F
InChI
InChI=1S/C8H4F3NO2/c9-8(10,11)7-5-2-1-4(13)3-6(5)14-12-7/h1-3,13H
InChIKey
JETJKRCFETYCQD-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1,2-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

203.01941 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.02669 141.2
[M+Na]+ 226.00863 151.5
[M+NH4]+ 221.05323 146.8
[M+K]+ 241.98257 148.7
[M-H]- 202.01213 138.5
[M+Na-2H]- 223.99408 144.7
[M]+ 203.01886 141.6
[M]- 203.01996 141.6
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