CID 14498597

2-(trifluoromethyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C8H5F3N2O
SMILES
C1=CC2=C(C=C1N)N=C(O2)C(F)(F)F
InChI
InChI=1S/C8H5F3N2O/c9-8(10,11)7-13-5-3-4(12)1-2-6(5)14-7/h1-3H,12H2
InChIKey
FLWWHTTZBXDGEQ-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

202.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04268 139.7
[M+Na]+ 225.02462 149.5
[M+NH4]+ 220.06922 145.6
[M+K]+ 240.99856 146.7
[M-H]- 201.02812 138.0
[M+Na-2H]- 223.01007 143.6
[M]+ 202.03485 140.3
[M]- 202.03595 140.3
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