CID 21024138

3-amino-1,1,1-trifluoro-2-phenylpropan-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

205.07144 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07872 140.1
[M+Na]+ 228.06066 147.3
[M-H]- 204.06416 138.0
[M+NH4]+ 223.10526 157.8
[M+K]+ 244.03460 144.1
[M+H-H2O]+ 188.06870 132.5
[M+HCOO]- 250.06964 157.4
[M+CH3COO]- 264.08529 183.3
[M+Na-2H]- 226.04611 146.7
[M]+ 205.07089 133.0
[M]- 205.07199 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe