CID 165605556

1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H7F3N2O
SMILES
C1=CC=C2C(=C1)N=C(O2)C(C(F)(F)F)N
InChI
InChI=1S/C9H7F3N2O/c10-9(11,12)7(13)8-14-5-3-1-2-4-6(5)15-8/h1-4,7H,13H2
InChIKey
JKRURUWDCGOPFF-UHFFFAOYSA-N
Compound name
1-(1,3-benzoxazol-2-yl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.058316 139.6
[M+Na]+ 239.040258 150.0
[M-H]- 215.043764 140.0
[M+NH4]+ 234.084863 158.1
[M+K]+ 255.014198 147.7
[M+H-H2O]+ 199.048300 131.2
[M+HCOO]- 261.049241 159.0
[M+CH3COO]- 275.064891 187.1
[M+Na-2H]- 237.025706 146.7
[M]+ 216.05049142 137.2
[M]- 216.05158858 137.2
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.