CID 137175

Trityl isothiocyanate

Structural Information

Molecular Formula
C20H15NS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S
InChI
InChI=1S/C20H15NS/c22-16-21-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
InChIKey
ZPZHAUXTGFNYTN-UHFFFAOYSA-N
Compound name
[isothiocyanato(diphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

120
Patents

301.09253 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09981 170.6
[M+Na]+ 324.08175 177.4
[M-H]- 300.08525 181.1
[M+NH4]+ 319.12635 185.8
[M+K]+ 340.05569 170.4
[M+H-H2O]+ 284.08979 161.7
[M+HCOO]- 346.09073 190.7
[M+CH3COO]- 360.10638 182.0
[M+Na-2H]- 322.06720 176.6
[M]+ 301.09198 170.4
[M]- 301.09308 170.4
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