CID 54593270

1-amino-2-(2,4-difluorophenyl)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C9H11F2NO
SMILES
CC(CN)(C1=C(C=C(C=C1)F)F)O
InChI
InChI=1S/C9H11F2NO/c1-9(13,5-12)7-3-2-6(10)4-8(7)11/h2-4,13H,5,12H2,1H3
InChIKey
HKPYTXVVEVMTAY-UHFFFAOYSA-N
Compound name
1-amino-2-(2,4-difluorophenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08087 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.088146 137.1
[M+Na]+ 210.070088 145.6
[M-H]- 186.073594 136.8
[M+NH4]+ 205.114693 156.1
[M+K]+ 226.044028 142.4
[M+H-H2O]+ 170.078130 130.4
[M+HCOO]- 232.079071 157.0
[M+CH3COO]- 246.094721 183.0
[M+Na-2H]- 208.055536 142.0
[M]+ 187.08032142 132.7
[M]- 187.08141858 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

No patent data available for this compound.