CID 75431955

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.