CID 57219265

2-(3,5-difluorophenoxy)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9F2NO
SMILES
C1=C(C=C(C=C1F)F)OCCN
InChI
InChI=1S/C8H9F2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,1-2,11H2
InChIKey
OVEITJSDGWRVLP-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

173.06522 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 134.4
[M+Na]+ 196.05444 145.0
[M+NH4]+ 191.09904 141.6
[M+K]+ 212.02838 138.9
[M-H]- 172.05794 134.2
[M+Na-2H]- 194.03989 140.0
[M]+ 173.06467 135.6
[M]- 173.06577 135.6
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