CID 56828113

2-(4-fluorophenyl)-2-methoxyacetonitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
COC(C#N)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H8FNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,1H3
InChIKey
AXZDZULCUNJNHT-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-methoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.05899 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 135.1
[M+Na]+ 188.04821 147.1
[M+NH4]+ 183.09281 139.9
[M+K]+ 204.02215 137.6
[M-H]- 164.05171 128.6
[M+Na-2H]- 186.03366 139.2
[M]+ 165.05844 134.1
[M]- 165.05954 134.1
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

No patent data available for this compound.