CID 135493884

Nsc671440

Structural Information

Molecular Formula
C20H24IOSn
SMILES
CC(C)(C)C(C)(C=[CH+])O[Sn-](C1=CC=CC=C1)(C2=CC=CC=C2)I
InChI
InChI=1S/C8H14O.2C6H5.HI.Sn/c1-6-8(5,9)7(2,3)4;2*1-2-4-6-5-3-1;;/h1,6H,2-5H3;2*1-5H;1H;/q;;;;+1/p-1
InChIKey
NYYYAEQUTOPYOW-UHFFFAOYSA-M
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.9894 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.99668 214.6
[M+Na]+ 549.97862 211.0
[M-H]- 525.98212 210.9
[M+NH4]+ 545.02322 222.1
[M+K]+ 565.95256 206.6
[M+H-H2O]+ 509.98666 207.1
[M+HCOO]- 571.98760 224.6
[M+CH3COO]- 586.00325 209.5
[M+Na-2H]- 547.96407 207.9
[M]+ 526.98885 208.8
[M]- 526.98995 208.8
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.