CID 98920

974-29-8

Structural Information

Molecular Formula
C20H17N3Sn
SMILES
C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)N4C=NC=N4
InChI
InChI=1S/3C6H5.C2H2N3.Sn/c3*1-2-4-6-5-3-1;1-3-2-5-4-1;/h3*1-5H;1-2H;/q;;;-1;+1
InChIKey
XYHXYPORYWQYHD-UHFFFAOYSA-N
Compound name
triphenyl(1,2,4-triazol-1-yl)stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.04446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05174 193.7
[M+Na]+ 442.03368 199.1
[M-H]- 418.03718 200.9
[M+NH4]+ 437.07828 203.1
[M+K]+ 458.00762 191.5
[M+H-H2O]+ 402.04172 180.5
[M+HCOO]- 464.04266 211.7
[M+CH3COO]- 478.05831 202.0
[M+Na-2H]- 440.01913 198.2
[M]+ 419.04391 191.0
[M]- 419.04501 191.0
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.