CID 13747241

3-(4-fluorophenyl)propan-1-ol

Structural Information

Molecular Formula
C9H11FO
SMILES
C1=CC(=CC=C1CCCO)F
InChI
InChI=1S/C9H11FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,1-2,7H2
InChIKey
PJSWZGHHUVINHR-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

154.07939 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.086666 129.7
[M+Na]+ 177.068608 137.7
[M-H]- 153.072114 130.8
[M+NH4]+ 172.113213 150.4
[M+K]+ 193.042548 135.0
[M+H-H2O]+ 137.076650 123.7
[M+HCOO]- 199.077591 152.0
[M+CH3COO]- 213.093241 174.5
[M+Na-2H]- 175.054056 136.2
[M]+ 154.07884142 128.4
[M]- 154.07993858 128.4
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