CID 21866059

346592-74-3

Structural Information

Molecular Formula
C8H5FS
SMILES
C1=CC2=C(C(=C1)F)SC=C2
InChI
InChI=1S/C8H5FS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChIKey
SIJVBIZDVKSGSG-UHFFFAOYSA-N
Compound name
7-fluoro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

152.0096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.01688 123.0
[M+Na]+ 174.99882 135.1
[M-H]- 151.00232 127.7
[M+NH4]+ 170.04342 148.3
[M+K]+ 190.97276 131.6
[M+H-H2O]+ 135.00686 117.8
[M+HCOO]- 197.00780 144.1
[M+CH3COO]- 211.02345 138.9
[M+Na-2H]- 172.98427 129.0
[M]+ 152.00905 125.6
[M]- 152.01015 125.6
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