CID 53418317

640290-79-5

Structural Information

Molecular Formula
C16H28F3NOSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(F)(F)F
InChI
InChI=1S/C4HF3NO.3C4H9.Sn/c5-4(6,7)3-1-2-9-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKey
VHSKKZIBWCWIOO-UHFFFAOYSA-N
Compound name
tributyl-[3-(trifluoromethyl)-1,2-oxazol-5-yl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1145 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.12178 200.3
[M+Na]+ 450.10372 205.4
[M-H]- 426.10722 197.4
[M+NH4]+ 445.14832 213.1
[M+K]+ 466.07766 202.0
[M+H-H2O]+ 410.11176 190.0
[M+HCOO]- 472.11270 213.3
[M+CH3COO]- 486.12835 213.6
[M+Na-2H]- 448.08917 199.7
[M]+ 427.11395 202.0
[M]- 427.11505 202.0
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

No patent data available for this compound.