CID 273094

1803-12-9

Structural Information

Molecular Formula
C21H21NS2Sn
SMILES
CN(C)C(=S)S[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C3H7NS2.Sn/c3*1-2-4-6-5-3-1;1-4(2)3(5)6;/h3*1-5H;1-2H3,(H,5,6);/q;;;;+1/p-1
InChIKey
HCQQYCNWRJJRQV-UHFFFAOYSA-M
Compound name
triphenylstannyl N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

471.01373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.02101 204.0
[M+Na]+ 494.00295 208.3
[M-H]- 470.00645 212.7
[M+NH4]+ 489.04755 215.7
[M+K]+ 509.97689 200.8
[M+H-H2O]+ 454.01099 194.0
[M+HCOO]- 516.01193 214.6
[M+CH3COO]- 530.02758 211.8
[M+Na-2H]- 491.98840 203.8
[M]+ 471.01318 204.7
[M]- 471.01428 204.7
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