CID 16228658

1461714-69-1

Structural Information

Molecular Formula
C9H10F3NO
SMILES
C1=CC=C(C=C1)C(C(C(F)(F)F)O)N
InChI
InChI=1S/C9H10F3NO/c10-9(11,12)8(14)7(13)6-4-2-1-3-5-6/h1-5,7-8,14H,13H2
InChIKey
GFSZBXASMXIZSV-UHFFFAOYSA-N
Compound name
3-amino-1,1,1-trifluoro-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.07144 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.078716 140.5
[M+Na]+ 228.060658 146.7
[M-H]- 204.064164 138.3
[M+NH4]+ 223.105263 158.0
[M+K]+ 244.034598 144.1
[M+H-H2O]+ 188.068700 132.5
[M+HCOO]- 250.069641 157.4
[M+CH3COO]- 264.085291 184.6
[M+Na-2H]- 226.046106 143.8
[M]+ 205.07089142 132.7
[M]- 205.07198858 132.7
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