CID 2774762

2-fluorothioanisole

Structural Information

Molecular Formula
C7H7FS
SMILES
CSC1=CC=CC=C1F
InChI
InChI=1S/C7H7FS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
AYTSELVZWGHUEE-UHFFFAOYSA-N
Compound name
1-fluoro-2-methylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

142.02525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03253 122.0
[M+Na]+ 165.01447 131.5
[M-H]- 141.01797 125.1
[M+NH4]+ 160.05907 144.5
[M+K]+ 180.98841 128.9
[M+H-H2O]+ 125.02251 116.2
[M+HCOO]- 187.02345 140.9
[M+CH3COO]- 201.03910 173.2
[M+Na-2H]- 162.99992 126.6
[M]+ 142.02470 122.7
[M]- 142.02580 122.7
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