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]+ 188.08815 137.1
[M+Na]+ 210.07009 145.6
[M-H]- 186.07359 136.8
[M+NH4]+ 205.11469 156.1
[M+K]+ 226.04403 142.4
[M+H-H2O]+ 170.07813 130.4
[M+HCOO]- 232.07907 157.0
[M+CH3COO]- 246.09472 183.0
[M+Na-2H]- 208.05554 142.0
[M]+ 187.08032 132.7
[M]- 187.08142 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.