CID 20037173

3-fluoro-4-mercaptobenzonitrile

Structural Information

Molecular Formula
C7H4FNS
SMILES
C1=CC(=C(C=C1C#N)F)S
InChI
InChI=1S/C7H4FNS/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H
InChIKey
XQILTZVEPXZDKI-UHFFFAOYSA-N
Compound name
3-fluoro-4-sulfanylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

153.00485 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.01213 125.0
[M+Na]+ 175.99407 137.8
[M+NH4]+ 171.03867 131.0
[M+K]+ 191.96801 126.4
[M-H]- 151.99757 119.6
[M+Na-2H]- 173.97952 129.6
[M]+ 153.00430 125.0
[M]- 153.00540 125.0
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