CID 140706407

5-fluoro-2-(tributylstannyl)pyrimidine

Structural Information

Molecular Formula
C16H29FN2Sn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC=C(C=N1)F
InChI
InChI=1S/C4H2FN2.3C4H9.Sn/c5-4-1-6-3-7-2-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3;
InChIKey
DMBMEDGAFJPGCQ-UHFFFAOYSA-N
Compound name
tributyl-(5-fluoropyrimidin-2-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

388.13367 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.14095 193.9
[M+Na]+ 411.12289 198.4
[M-H]- 387.12639 191.3
[M+NH4]+ 406.16749 206.4
[M+K]+ 427.09683 193.6
[M+H-H2O]+ 371.13093 183.3
[M+HCOO]- 433.13187 209.2
[M+CH3COO]- 447.14752 209.1
[M+Na-2H]- 409.10834 194.8
[M]+ 388.13312 196.4
[M]- 388.13422 196.4
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