CID 5095810

2,5-bis(4-fluorophenyl)thiophene

Structural Information

Molecular Formula
C16H10F2S
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C16H10F2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10H
InChIKey
VZSYCGICWFTTQP-UHFFFAOYSA-N
Compound name
2,5-bis(4-fluorophenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.04712 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05440 156.2
[M+Na]+ 295.03634 167.2
[M-H]- 271.03984 164.6
[M+NH4]+ 290.08094 175.3
[M+K]+ 311.01028 160.6
[M+H-H2O]+ 255.04438 147.7
[M+HCOO]- 317.04532 175.3
[M+CH3COO]- 331.06097 169.5
[M+Na-2H]- 293.02179 156.7
[M]+ 272.04657 156.1
[M]- 272.04767 156.1
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