CID 57516634

1334675-40-9

Structural Information

Molecular Formula

C₁₈H₃₀F₃NSn

SMILES

CCCC[Sn](CCCC)(CCCC)C1=NC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C6H3F3N.3C4H9.Sn/c7-6(8,9)5-1-3-10-4-2-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;

InChIKey

JEWPJDFTNKKINU-UHFFFAOYSA-N

Compound name

tributyl-[4-(trifluoromethyl)pyridin-2-yl]stannane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 437.13522 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]+	438.14250	204.6
[M+Na]+	460.12444	208.9
[M-H]-	436.12794	200.7
[M+NH4]+	455.16904	216.4
[M+K]+	476.09838	203.3
[M+H-H2O]+	420.13248	193.3
[M+HCOO]-	482.13342	216.8
[M+CH3COO]-	496.14907	217.7
[M+Na-2H]-	458.10989	204.0
[M]+	437.13467	204.3
[M]-	437.13577	204.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe