CID 596828

5-fluoro-3-methylbenzo[b]thiophene

Structural Information

Molecular Formula
C9H7FS
SMILES
CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C9H7FS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKey
ARYSXQXKEJNADL-UHFFFAOYSA-N
Compound name
5-fluoro-3-methyl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

166.02525 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03253 129.9
[M+Na]+ 189.01447 143.9
[M+NH4]+ 184.05907 140.7
[M+K]+ 204.98841 135.8
[M-H]- 165.01797 132.5
[M+Na-2H]- 186.99992 137.0
[M]+ 166.02470 133.3
[M]- 166.02580 133.3
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