CID 16684353

P-nitrophenoxytributyltin

Structural Information

Molecular Formula
C18H31NO3Sn
SMILES
CCCC[Sn](CCCC)(CCCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO3.3C4H9.Sn/c8-6-3-1-5(2-4-6)7(9)10;3*1-3-4-2;/h1-4,8H;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKey
SWZPSYJFHVBDSY-UHFFFAOYSA-M
Compound name
tributyl-(4-nitrophenoxy)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

429.1326 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13988 205.5
[M+Na]+ 452.12182 207.9
[M-H]- 428.12532 206.9
[M+NH4]+ 447.16642 218.1
[M+K]+ 468.09576 200.2
[M+H-H2O]+ 412.12986 201.6
[M+HCOO]- 474.13080 225.3
[M+CH3COO]- 488.14645 210.5
[M+Na-2H]- 450.10727 207.3
[M]+ 429.13205 209.2
[M]- 429.13315 209.2
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