CID 16786306

1-amino-3-(4-fluorophenoxy)propan-2-ol

Structural Information

Molecular Formula
C9H12FNO2
SMILES
C1=CC(=CC=C1OCC(CN)O)F
InChI
InChI=1S/C9H12FNO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2
InChIKey
LKRGICBCCHGVLQ-UHFFFAOYSA-N
Compound name
1-amino-3-(4-fluorophenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

185.0852 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09248 138.0
[M+Na]+ 208.07442 144.7
[M-H]- 184.07792 138.5
[M+NH4]+ 203.11902 156.6
[M+K]+ 224.04836 142.6
[M+H-H2O]+ 168.08246 131.2
[M+HCOO]- 230.08340 159.8
[M+CH3COO]- 244.09905 181.6
[M+Na-2H]- 206.05987 142.3
[M]+ 185.08465 135.7
[M]- 185.08575 135.7
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