PubChemLite - 1514905-25-9 (C40H56F2S4Sn2)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	943.13498	307.5
[M+Na]+	965.11692	314.9
[M-H]-	941.12042	313.9
[M+NH4]+	960.16152	315.7
[M+K]+	981.09086	305.3
[M+H-H2O]+	925.12496	303.2
[M+HCOO]-	987.12590	302.8
[M+CH3COO]-	1001.1416	284.6
[M+Na-2H]-	963.10237	294.5
[M]+	942.12715	320.4
[M]-	942.12825	320.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

943.13498

307.5

[M+Na]+

965.11692

314.9

[M-H]-

941.12042

313.9

[M+NH4]+

960.16152

315.7

[M+K]+

981.09086

305.3

[M+H-H2O]+

925.12496

303.2

[M+HCOO]-

987.12590

302.8

[M+CH3COO]-

1001.1416

284.6

[M+Na-2H]-

963.10237

294.5

[M]+

942.12715

320.4

[M]-

942.12825

320.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1514905-25-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe