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]+ 217.05832 139.6
[M+Na]+ 239.04026 150.0
[M-H]- 215.04376 140.0
[M+NH4]+ 234.08486 158.1
[M+K]+ 255.01420 147.7
[M+H-H2O]+ 199.04830 131.2
[M+HCOO]- 261.04924 159.0
[M+CH3COO]- 275.06489 187.1
[M+Na-2H]- 237.02571 146.7
[M]+ 216.05049 137.2
[M]- 216.05159 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.