PubChemLite - 4,4'-dibromo-2,2'-bis(triisopropylsilyl)-5,5'-bithiazole (C24H42Br2N2S2Si2)

Structural Information

Molecular Formula

SMILES

CC(C)[Si](C1=NC(=C(S1)C2=C(N=C(S2)[Si](C(C)C)(C(C)C)C(C)C)Br)Br)(C(C)C)C(C)C

InChI

InChI=1S/C24H42Br2N2S2Si2/c1-13(2)31(14(3)4,15(5)6)23-27-21(25)19(29-23)20-22(26)28-24(30-20)32(16(7)8,17(9)10)18(11)12/h13-18H,1-12H3

InChIKey

HNWAYAXELMAWTB-UHFFFAOYSA-N

Compound name

[4-bromo-5-[4-bromo-2-tri(propan-2-yl)silyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-tri(propan-2-yl)silane

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]+	637.07674	201.4
[M+Na]+	659.05868	210.5
[M-H]-	635.06218	209.1
[M+NH4]+	654.10328	213.6
[M+K]+	675.03262	194.7
[M+H-H2O]+	619.06672	209.3
[M+HCOO]-	681.06766	201.0
[M+CH3COO]-	695.08331	250.7
[M+Na-2H]-	657.04413	195.9
[M]+	636.06891	240.3
[M]-	636.07001	240.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.07674

201.4

[M+Na]+

659.05868

210.5

[M-H]-

635.06218

209.1

[M+NH4]+

654.10328

213.6

[M+K]+

675.03262

194.7

[M+H-H2O]+

619.06672

209.3

[M+HCOO]-

681.06766

201.0

[M+CH3COO]-

695.08331

250.7

[M+Na-2H]-

657.04413

195.9

[M]+

636.06891

240.3

[M]-

636.07001

240.3

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

4,4'-dibromo-2,2'-bis(triisopropylsilyl)-5,5'-bithiazole

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe