CID 46839953

2-chloro-4-(tributylstannyl)pyrimidine

Structural Information

Molecular Formula
C16H29ClN2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-6-2-1-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKey
RYGIFHOTRLEMGG-UHFFFAOYSA-N
Compound name
tributyl-(2-chloropyrimidin-4-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

404.10413 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.11141 196.6
[M+Na]+ 427.09335 201.8
[M-H]- 403.09685 195.2
[M+NH4]+ 422.13795 209.3
[M+K]+ 443.06729 195.5
[M+H-H2O]+ 387.10139 187.4
[M+HCOO]- 449.10233 208.3
[M+CH3COO]- 463.11798 210.0
[M+Na-2H]- 425.07880 197.7
[M]+ 404.10358 202.1
[M]- 404.10468 202.1
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

patents stripe