CID 95186

Trityl thionitrite

Structural Information

Molecular Formula
C19H15NOS
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN=O
InChI
InChI=1S/C19H15NOS/c21-20-22-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey
YLEVRGODADSYBK-UHFFFAOYSA-N
Compound name
[nitrososulfanyl(diphenyl)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

305.08743 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.094706 170.5
[M+Na]+ 328.076648 177.1
[M-H]- 304.080154 181.1
[M+NH4]+ 323.121253 185.4
[M+K]+ 344.050588 171.6
[M+H-H2O]+ 288.084690 161.4
[M+HCOO]- 350.085631 190.9
[M+CH3COO]- 364.101281 182.1
[M+Na-2H]- 326.062096 177.1
[M]+ 305.08688142 172.1
[M]- 305.08797858 172.1
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