CID 91807232

6-chloro-5-fluoro-1-benzothiophene

Structural Information

Molecular Formula
C8H4ClFS
SMILES
C1=CSC2=CC(=C(C=C21)F)Cl
InChI
InChI=1S/C8H4ClFS/c9-6-4-8-5(1-2-11-8)3-7(6)10/h1-4H
InChIKey
XEYIQLAUQLFERG-UHFFFAOYSA-N
Compound name
6-chloro-5-fluoro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

185.97063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97791 129.5
[M+Na]+ 208.95985 143.1
[M-H]- 184.96335 134.4
[M+NH4]+ 204.00445 154.5
[M+K]+ 224.93379 137.8
[M+H-H2O]+ 168.96789 125.3
[M+HCOO]- 230.96883 145.8
[M+CH3COO]- 244.98448 145.2
[M+Na-2H]- 206.94530 134.3
[M]+ 185.97008 134.3
[M]- 185.97118 134.3
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