CID 639878

2-fluoro-4-methoxybenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
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

literature stripe

Patent stripe

patents stripe