CID 4830483

1-[(2-chloroethyl)sulfanyl]-2-fluorobenzene

Structural Information

Molecular Formula
C8H8ClFS
SMILES
C1=CC=C(C(=C1)F)SCCCl
InChI
InChI=1S/C8H8ClFS/c9-5-6-11-8-4-2-1-3-7(8)10/h1-4H,5-6H2
InChIKey
OAKJMAGMZQYDES-UHFFFAOYSA-N
Compound name
1-(2-chloroethylsulfanyl)-2-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

190.00192 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00920 132.0
[M+Na]+ 212.99114 141.7
[M-H]- 188.99464 134.8
[M+NH4]+ 208.03574 153.4
[M+K]+ 228.96508 136.9
[M+H-H2O]+ 172.99918 126.8
[M+HCOO]- 235.00012 146.0
[M+CH3COO]- 249.01577 180.0
[M+Na-2H]- 210.97659 135.7
[M]+ 190.00137 134.8
[M]- 190.00247 134.8
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