CID 21028430

5,5'-di(9h-fluoren-2-yl)-2,2'-bithiophene

Structural Information

Molecular Formula
C34H22S2
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=C(S4)C5=CC=C(S5)C6=CC7=C(C=C6)C8=CC=CC=C8C7
InChI
InChI=1S/C34H22S2/c1-3-7-27-21(5-1)17-25-19-23(9-11-29(25)27)31-13-15-33(35-31)34-16-14-32(36-34)24-10-12-30-26(20-24)18-22-6-2-4-8-28(22)30/h1-16,19-20H,17-18H2
InChIKey
BYGHZDSINXXOSM-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-2-yl)-5-[5-(9H-fluoren-2-yl)thiophen-2-yl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

494.1163 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.12358 220.4
[M+Na]+ 517.10552 234.8
[M-H]- 493.10902 239.4
[M+NH4]+ 512.15012 240.4
[M+K]+ 533.07946 226.8
[M+H-H2O]+ 477.11356 218.3
[M+HCOO]- 539.11450 236.1
[M+CH3COO]- 553.13015 232.0
[M+Na-2H]- 515.09097 215.1
[M]+ 494.11575 229.3
[M]- 494.11685 229.3
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