CID 71692540

20844-69-3

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C(O2)N
InChI
InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)13-7(12)14-6/h1-3H,(H2,12,13)
InChIKey
JTDXQCUQIUYDDA-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

202.0354 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 134.7
[M+Na]+ 225.02462 146.7
[M-H]- 201.02812 135.5
[M+NH4]+ 220.06922 154.1
[M+K]+ 240.99856 144.2
[M+H-H2O]+ 185.03266 126.6
[M+HCOO]- 247.03360 155.4
[M+CH3COO]- 261.04925 184.4
[M+Na-2H]- 223.01007 142.8
[M]+ 202.03485 132.9
[M]- 202.03595 132.9
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