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

10
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 133.5
[M+Na]+ 226.00863 145.9
[M-H]- 202.01213 133.5
[M+NH4]+ 221.05323 152.8
[M+K]+ 241.98257 143.5
[M+H-H2O]+ 186.01667 126.0
[M+HCOO]- 248.01761 152.5
[M+CH3COO]- 262.03326 179.7
[M+Na-2H]- 223.99408 141.9
[M]+ 203.01886 133.0
[M]- 203.01996 133.0
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

patents stripe