CID 21846099

4-ethoxy-2-fluorobenzonitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
CCOC1=CC(=C(C=C1)C#N)F
InChI
InChI=1S/C9H8FNO/c1-2-12-8-4-3-7(6-11)9(10)5-8/h3-5H,2H2,1H3
InChIKey
MJFCNALIRFIEAS-UHFFFAOYSA-N
Compound name
4-ethoxy-2-fluorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

165.05899 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 129.5
[M+Na]+ 188.04821 140.8
[M-H]- 164.05171 132.1
[M+NH4]+ 183.09281 148.6
[M+K]+ 204.02215 138.0
[M+H-H2O]+ 148.05625 117.0
[M+HCOO]- 210.05719 149.9
[M+CH3COO]- 224.07284 192.0
[M+Na-2H]- 186.03366 135.7
[M]+ 165.05844 125.4
[M]- 165.05954 125.4
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