CID 67592

2-fluorophenylacetonitrile

Structural Information

Molecular Formula
C8H6FN
SMILES
C1=CC=C(C(=C1)CC#N)F
InChI
InChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2
InChIKey
DAVJMKMVLKOQQC-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2085
Patents

135.04843 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05571 128.3
[M+Na]+ 158.03765 141.1
[M+NH4]+ 153.08225 133.8
[M+K]+ 174.01159 130.7
[M-H]- 134.04115 122.4
[M+Na-2H]- 156.02310 133.3
[M]+ 135.04788 127.7
[M]- 135.04898 127.7
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