CID 289815

4104-90-9

Structural Information

Molecular Formula
C21H18Sn
SMILES
C=C=C[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C3H3.Sn/c3*1-2-4-6-5-3-1;1-3-2;/h3*1-5H;1H,2H2;
InChIKey
AFCVDCUIAHTKBW-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

390.04306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.05034 188.8
[M+Na]+ 413.03228 193.5
[M-H]- 389.03578 196.6
[M+NH4]+ 408.07688 202.3
[M+K]+ 429.00622 185.6
[M+H-H2O]+ 373.04032 178.7
[M+HCOO]- 435.04126 209.2
[M+CH3COO]- 449.05691 204.3
[M+Na-2H]- 411.01773 193.3
[M]+ 390.04251 185.7
[M]- 390.04361 185.7
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