CID 21894783

2-(4-fluorophenyl)thiophene

Structural Information

Molecular Formula
C10H7FS
SMILES
C1=CSC(=C1)C2=CC=C(C=C2)F
InChI
InChI=1S/C10H7FS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKey
PURJRGMZIKXDMW-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
Patents

178.02525 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03253 132.3
[M+Na]+ 201.01447 142.5
[M-H]- 177.01797 138.8
[M+NH4]+ 196.05907 155.1
[M+K]+ 216.98841 138.7
[M+H-H2O]+ 161.02251 126.0
[M+HCOO]- 223.02345 152.9
[M+CH3COO]- 237.03910 147.1
[M+Na-2H]- 198.99992 135.5
[M]+ 178.02470 132.7
[M]- 178.02580 132.7
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