CID 135493885

Nsc671441

Structural Information

Molecular Formula
C21H24IOSn
SMILES
[CH+]=CC1(CCCCCC1)O[Sn-](C2=CC=CC=C2)(C3=CC=CC=C3)I
InChI
InChI=1S/C9H14O.2C6H5.HI.Sn/c1-2-9(10)7-5-3-4-6-8-9;2*1-2-4-6-5-3-1;;/h1-2H,3-8H2;2*1-5H;1H;/q;;;;+1/p-1
InChIKey
OTFSBRRHOJPQMS-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.9894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.99668 215.1
[M+Na]+ 561.97862 208.4
[M-H]- 537.98212 214.0
[M+NH4]+ 557.02322 222.1
[M+K]+ 577.95256 206.9
[M+H-H2O]+ 521.98666 207.2
[M+HCOO]- 583.98760 224.6
[M+CH3COO]- 598.00325 209.2
[M+Na-2H]- 559.96407 205.9
[M]+ 538.98885 201.7
[M]- 538.98995 201.7
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.