CID 13334255

2-fluoro-2-phenylacetonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

135.04843 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.055706 125.4
[M+Na]+ 158.037648 135.2
[M-H]- 134.041154 127.5
[M+NH4]+ 153.082253 144.9
[M+K]+ 174.011588 132.3
[M+H-H2O]+ 118.045690 112.8
[M+HCOO]- 180.046631 144.8
[M+CH3COO]- 194.062281 186.3
[M+Na-2H]- 156.023096 132.0
[M]+ 135.04788142 118.4
[M]- 135.04897858 118.4
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