CID 139594103

1840869-83-1

Structural Information

Molecular Formula
C44H58F4S2Sn2
SMILES
CCCCC(CC)CC1=C(C=C(C=C1F)C2=C3C=C(SC3=C(C4=C2SC(=C4)[Sn](C)(C)C)C5=CC(=C(C(=C5)F)CC(CC)CCCC)F)[Sn](C)(C)C)F
InChI
InChI=1S/C38H40F4S2.6CH3.2Sn/c1-5-9-11-23(7-3)17-29-31(39)19-25(20-32(29)40)35-27-13-15-44-38(27)36(28-14-16-43-37(28)35)26-21-33(41)30(34(42)22-26)18-24(8-4)12-10-6-2;;;;;;;;/h13-14,19-24H,5-12,17-18H2,1-4H3;6*1H3;;
InChIKey
CTCHWLBTPOXVNM-UHFFFAOYSA-N
Compound name
[4,8-bis[4-(2-ethylhexyl)-3,5-difluorophenyl]-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

966.196 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 967.203276 323.9
[M+Na]+ 989.185218 328.7
[M-H]- 965.188724 327.3
[M+NH4]+ 984.229823 326.2
[M+K]+ 1005.159158 317.4
[M+H-H2O]+ 949.193260 311.0
[M+HCOO]- 1011.194201 320.6
[M+CH3COO]- 1025.209851 300.3
[M+Na-2H]- 987.170666 306.1
[M]+ 966.19545142 334.0
[M]- 966.19654858 334.0
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

No patent data available for this compound.