CID 16683225

Nsc644937

Structural Information

Molecular Formula
C28H38N6O14Sn
SMILES
CCCCCCCC[Sn](CCCCCCCC)(OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/2C8H17.2C6H3N3O7.Sn/c2*1-3-5-7-8-6-4-2;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1,3-8H2,2H3;2*1-2,10H;/q;;;;+2/p-2
InChIKey
KWPPWINIDAIOQA-UHFFFAOYSA-L
Compound name
dioctyl-bis(2,4,6-trinitrophenoxy)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

802.1468 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.15408 241.4
[M+Na]+ 825.13602 242.0
[M-H]- 801.13952 241.4
[M+NH4]+ 820.18062 241.9
[M+K]+ 841.10996 242.6
[M+H-H2O]+ 785.14406 241.3
[M+HCOO]- 847.14500 242.8
[M+CH3COO]- 861.16065 242.1
[M+Na-2H]- 823.12147 243.1
[M]+ 802.14625 241.7
[M]- 802.14735 241.7
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.