CID 77281

Triphenylmethanethiol

Structural Information

Molecular Formula
C19H16S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)S
InChI
InChI=1S/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
InChIKey
JQZIKLPHXXBMCA-UHFFFAOYSA-N
Compound name
triphenylmethanethiol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

4403
Patents

276.09726 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10454 163.3
[M+Na]+ 299.08648 170.4
[M-H]- 275.08998 172.7
[M+NH4]+ 294.13108 179.3
[M+K]+ 315.06042 164.1
[M+H-H2O]+ 259.09452 155.3
[M+HCOO]- 321.09546 181.0
[M+CH3COO]- 335.11111 175.1
[M+Na-2H]- 297.07193 168.9
[M]+ 276.09671 163.2
[M]- 276.09781 163.2
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