CID 2737365

4-fluoro-3-methoxybenzonitrile

Structural Information

Molecular Formula
C8H6FNO
SMILES
COC1=C(C=CC(=C1)C#N)F
InChI
InChI=1S/C8H6FNO/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4H,1H3
InChIKey
FOWHAPVFVBXMBK-UHFFFAOYSA-N
Compound name
4-fluoro-3-methoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

446
Patents

151.04333 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 130.0
[M+Na]+ 174.03255 142.8
[M+NH4]+ 169.07715 135.0
[M+K]+ 190.00649 133.0
[M-H]- 150.03605 123.7
[M+Na-2H]- 172.01800 134.5
[M]+ 151.04278 129.2
[M]- 151.04388 129.2
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