CID 20037173

3-fluoro-4-sulfanylbenzonitrile

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

40
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 128.0
[M+Na]+ 175.99407 140.4
[M-H]- 151.99757 131.7
[M+NH4]+ 171.03867 148.2
[M+K]+ 191.96801 137.3
[M+H-H2O]+ 136.00211 116.0
[M+HCOO]- 198.00305 143.7
[M+CH3COO]- 212.01870 188.2
[M+Na-2H]- 173.97952 131.8
[M]+ 153.00430 124.1
[M]- 153.00540 124.1
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