CID 2759164

3-fluorothioanisole

Structural Information

Molecular Formula
C7H7FS
SMILES
CSC1=CC=CC(=C1)F
InChI
InChI=1S/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
SQXSNYMCORGWCE-UHFFFAOYSA-N
Compound name
1-fluoro-3-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

142.02525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03253 125.4
[M+Na]+ 165.01447 138.5
[M+NH4]+ 160.05907 135.5
[M+K]+ 180.98841 129.2
[M-H]- 141.01797 127.7
[M+Na-2H]- 162.99992 132.7
[M]+ 142.02470 128.5
[M]- 142.02580 128.5
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