CID 16683976

(chloroacetoxy)triphenylstannane

Structural Information

Molecular Formula
C20H17ClO2Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CCl
InChI
InChI=1S/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;3-1-2(4)5;/h3*1-5H;1H2,(H,4,5);/q;;;;+1/p-1
InChIKey
XOFYGTPELGZPLY-UHFFFAOYSA-M
Compound name
triphenylstannyl 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

443.9939 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.00118 199.2
[M+Na]+ 466.98312 204.3
[M-H]- 442.98662 207.0
[M+NH4]+ 462.02772 211.3
[M+K]+ 482.95706 197.4
[M+H-H2O]+ 426.99116 189.2
[M+HCOO]- 488.99210 214.5
[M+CH3COO]- 503.00775 210.4
[M+Na-2H]- 464.96857 202.6
[M]+ 443.99335 201.1
[M]- 443.99445 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe