CID 15634483

Fluoro(phenylthio)acetonitrile

Structural Information

Molecular Formula
C8H6FNS
SMILES
C1=CC=C(C=C1)SC(C#N)F
InChI
InChI=1S/C8H6FNS/c9-8(6-10)11-7-4-2-1-3-5-7/h1-5,8H
InChIKey
VAMSBCYZRBSCPJ-UHFFFAOYSA-N
Compound name
2-fluoro-2-phenylsulfanylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.0205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02778 134.3
[M+Na]+ 190.00972 144.5
[M-H]- 166.01322 137.2
[M+NH4]+ 185.05432 153.4
[M+K]+ 205.98366 141.4
[M+H-H2O]+ 150.01776 121.7
[M+HCOO]- 212.01870 148.8
[M+CH3COO]- 226.03435 189.7
[M+Na-2H]- 187.99517 137.8
[M]+ 167.01995 129.5
[M]- 167.02105 129.5
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