CID 138112137

1514905-25-9

Structural Information

Molecular Formula
C40H56F2S4Sn2
SMILES
CCCCC(CC)CC1=C(C=C(S1)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC(=C(S5)CC(CC)CCCC)F)[Sn](C)(C)C)F
InChI
InChI=1S/C34H38F2S4.6CH3.2Sn/c1-5-9-11-21(7-3)17-27-25(35)19-29(39-27)31-23-13-15-38-34(23)32(24-14-16-37-33(24)31)30-20-26(36)28(40-30)18-22(8-4)12-10-6-2;;;;;;;;/h13-14,19-22H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
JAEGDDGOGVSXLM-UHFFFAOYSA-N
Compound name
[4,8-bis[5-(2-ethylhexyl)-4-fluorothiophen-2-yl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

942.1277 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 943.13498 301.0
[M+Na]+ 965.11692 307.5
[M+NH4]+ 960.16152 306.1
[M+K]+ 981.09086 296.2
[M-H]- 941.12042 303.3
[M+Na-2H]- 963.10237 299.0
[M]+ 942.12715 304.4
[M]- 942.12825 304.4
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