CID 83874161

2-(2-aminoethyl)-3,4-difluorophenol hydrobromide

Structural Information

Molecular Formula
C8H9F2NO
SMILES
C1=CC(=C(C(=C1O)CCN)F)F
InChI
InChI=1S/C8H9F2NO/c9-6-1-2-7(12)5(3-4-11)8(6)10/h1-2,12H,3-4,11H2
InChIKey
LPIOCLMEBCWWJA-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-3,4-difluorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.06522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.072496 131.9
[M+Na]+ 196.054438 141.4
[M-H]- 172.057944 131.9
[M+NH4]+ 191.099043 151.7
[M+K]+ 212.028378 138.0
[M+H-H2O]+ 156.062480 125.0
[M+HCOO]- 218.063421 153.8
[M+CH3COO]- 232.079071 180.8
[M+Na-2H]- 194.039886 136.0
[M]+ 173.06467142 128.1
[M]- 173.06576858 128.1
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.