CID 363587

Nsc628583

Structural Information

Molecular Formula
C17H21BrO2Sn
SMILES
C1=CC=C(C=C1)[Sn](CCCC(CO)O)(C2=CC=CC=C2)Br
InChI
InChI=1S/2C6H5.C5H11O2.BrH.Sn/c2*1-2-4-6-5-3-1;1-2-3-5(7)4-6;;/h2*1-5H;5-7H,1-4H2;1H;/q;;;;+1/p-1
InChIKey
CMNJYRYJSUJZMX-UHFFFAOYSA-M
Compound name
5-[bromo(diphenyl)stannyl]pentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.9747 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.98198 198.5
[M+Na]+ 478.96392 204.4
[M-H]- 454.96742 203.0
[M+NH4]+ 474.00852 212.4
[M+K]+ 494.93786 191.0
[M+H-H2O]+ 438.97196 196.3
[M+HCOO]- 500.97290 212.7
[M+CH3COO]- 514.98855 207.0
[M+Na-2H]- 476.94937 201.2
[M]+ 455.97415 215.4
[M]- 455.97525 215.4
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.