CID 3020475

3-(4-fluorophenoxy)propanenitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
C1=CC(=CC=C1OCCC#N)F
InChI
InChI=1S/C9H8FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChIKey
MSQBUHCLFYFIGC-UHFFFAOYSA-N
Compound name
3-(4-fluorophenoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

165.05899 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.066266 130.1
[M+Na]+ 188.048208 140.5
[M-H]- 164.051714 132.3
[M+NH4]+ 183.092813 148.8
[M+K]+ 204.022148 137.6
[M+H-H2O]+ 148.056250 117.2
[M+HCOO]- 210.057191 150.4
[M+CH3COO]- 224.072841 191.0
[M+Na-2H]- 186.033656 136.8
[M]+ 165.05844142 125.6
[M]- 165.05953858 125.6
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