CID 21656101

1-fluoro-3-propoxybenzene

Structural Information

Molecular Formula
C9H11FO
SMILES
CCCOC1=CC(=CC=C1)F
InChI
InChI=1S/C9H11FO/c1-2-6-11-9-5-3-4-8(10)7-9/h3-5,7H,2,6H2,1H3
InChIKey
VLHPKJTYPNUVOX-UHFFFAOYSA-N
Compound name
1-fluoro-3-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

154.07939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.086666 129.0
[M+Na]+ 177.068608 137.4
[M-H]- 153.072114 131.6
[M+NH4]+ 172.113213 150.4
[M+K]+ 193.042548 135.7
[M+H-H2O]+ 137.076650 122.7
[M+HCOO]- 199.077591 152.8
[M+CH3COO]- 213.093241 177.3
[M+Na-2H]- 175.054056 136.1
[M]+ 154.07884142 129.6
[M]- 154.07993858 129.6
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