CID 2763302

3-bromo-1-(triisopropylsilyl)pyrrole

Structural Information

Molecular Formula

C₁₃H₂₄BrNSi

SMILES

CC(C)[Si](C(C)C)(C(C)C)N1C=CC(=C1)Br

InChI

InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3

InChIKey

CNAUTMPRKBSDLH-UHFFFAOYSA-N

Compound name

(3-bromopyrrol-1-yl)-tri(propan-2-yl)silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 245
Patents: 301.08615 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

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]+	302.09343	168.8
[M+Na]+	324.07537	178.2
[M-H]-	300.07887	173.5
[M+NH4]+	319.11997	189.1
[M+K]+	340.04931	167.7
[M+H-H2O]+	284.08341	168.4
[M+HCOO]-	346.08435	184.4
[M+CH3COO]-	360.10000	202.5
[M+Na-2H]-	322.06082	169.3
[M]+	301.08560	188.2
[M]-	301.08670	188.2

Literature stripe

literature stripe

Patent stripe

patents stripe