CID 3005141

Nsc676960

Structural Information

Molecular Formula
C27H25FN3SSi
SMILES
C/C(=[N+](/NC(=S)N)\[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC=CC=C4F
InChI
InChI=1S/C27H24FN3SSi/c1-21(25-19-11-12-20-26(25)28)31(30-27(29)32)33(22-13-5-2-6-14-22,23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-20H,1H3,(H2-,29,30,32)/p+1/b31-21+
InChIKey
FWQSZXBZMPRCSF-NJZRLIGZSA-O
Compound name
(E)-(carbamothioylamino)-[1-(2-fluorophenyl)ethylidene]-triphenylsilylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.15225 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15953 210.7
[M+Na]+ 493.14147 212.2
[M-H]- 469.14497 220.9
[M+NH4]+ 488.18607 217.1
[M+K]+ 509.11541 198.9
[M+H-H2O]+ 453.14951 201.0
[M+HCOO]- 515.15045 225.6
[M+CH3COO]- 529.16610 232.3
[M+Na-2H]- 491.12692 214.0
[M]+ 470.15170 204.5
[M]- 470.15280 204.5
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.