CID 11815950

5-fluoro-1-benzothiophene

Structural Information

Molecular Formula
C8H5FS
SMILES
C1=CC2=C(C=CS2)C=C1F
InChI
InChI=1S/C8H5FS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey
VKBPSLNJNKFVAC-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

502
Patents

152.0096 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe