CID 16767657

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

Structural Information

Molecular Formula
C8H9F2NO
SMILES
C1=CC(=C(C=C1F)F)C(CN)O
InChI
InChI=1S/C8H9F2NO/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,8,12H,4,11H2
InChIKey
VRMHGFAPUWXIIT-UHFFFAOYSA-N
Compound name
2-amino-1-(2,4-difluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

173.06522 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 132.6
[M+Na]+ 196.05444 140.9
[M-H]- 172.05794 132.3
[M+NH4]+ 191.09904 152.0
[M+K]+ 212.02838 138.0
[M+H-H2O]+ 156.06248 125.5
[M+HCOO]- 218.06342 153.5
[M+CH3COO]- 232.07907 180.5
[M+Na-2H]- 194.03989 136.2
[M]+ 173.06467 127.7
[M]- 173.06577 127.7
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