CID 16683272

Nsc671442

Structural Information

Molecular Formula
C22H27IO2Sn
SMILES
CC1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)C)(OC3(CCCCCC3)C=O)I
InChI
InChI=1S/C8H13O2.2C7H7.HI.Sn/c9-7-8(10)5-3-1-2-4-6-8;2*1-7-5-3-2-4-6-7;;/h7H,1-6H2;2*3-6H,1H3;1H;/q-1;;;;+2/p-1
InChIKey
PVLABEUMDZPXIP-UHFFFAOYSA-M
Compound name
1-[iodo-bis(4-methylphenyl)stannyl]oxycycloheptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.00775 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.01503 214.6
[M+Na]+ 592.99697 209.9
[M-H]- 569.00047 215.4
[M+NH4]+ 588.04157 222.0
[M+K]+ 608.97091 214.4
[M+H-H2O]+ 553.00501 202.5
[M+HCOO]- 615.00595 225.1
[M+CH3COO]- 629.02160 223.7
[M+Na-2H]- 590.98242 203.4
[M]+ 570.00720 206.9
[M]- 570.00830 206.9
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.