CID 2779324

2-(2-fluoro-6-methoxyphenyl)acetonitrile

Structural Information

Molecular Formula
C9H8FNO
SMILES
COC1=C(C(=CC=C1)F)CC#N
InChI
InChI=1S/C9H8FNO/c1-12-9-4-2-3-8(10)7(9)5-6-11/h2-4H,5H2,1H3
InChIKey
IHTMDGUTWAQZBU-UHFFFAOYSA-N
Compound name
2-(2-fluoro-6-methoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

165.05899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06627 134.1
[M+Na]+ 188.04821 146.7
[M+NH4]+ 183.09281 139.0
[M+K]+ 204.02215 136.7
[M-H]- 164.05171 127.8
[M+Na-2H]- 186.03366 138.3
[M]+ 165.05844 133.3
[M]- 165.05954 133.3
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