CID 44578415

4-(2-aminoethyl)-3,5-difluorophenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

173.06522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 131.9
[M+Na]+ 196.05444 141.4
[M-H]- 172.05794 131.9
[M+NH4]+ 191.09904 151.7
[M+K]+ 212.02838 138.0
[M+H-H2O]+ 156.06248 125.0
[M+HCOO]- 218.06342 153.8
[M+CH3COO]- 232.07907 180.8
[M+Na-2H]- 194.03989 136.0
[M]+ 173.06467 128.1
[M]- 173.06577 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

literature stripe

Patent stripe

patents stripe