CID 14025825

116753-54-9

Structural Information

Molecular Formula
C9H12FNO
SMILES
C1=CC(=CC=C1OCCCN)F
InChI
InChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2
InChIKey
ZIBPUVKKZJRDHB-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

169.09029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.097566 133.8
[M+Na]+ 192.079508 141.3
[M-H]- 168.083014 135.7
[M+NH4]+ 187.124113 153.9
[M+K]+ 208.053448 139.1
[M+H-H2O]+ 152.087550 127.0
[M+HCOO]- 214.088491 158.0
[M+CH3COO]- 228.104141 181.3
[M+Na-2H]- 190.064956 140.0
[M]+ 169.08974142 132.7
[M]- 169.09083858 132.7
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