CID 138160

Diphenylmethanethiol

Structural Information

Molecular Formula
C13H12S
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)S
InChI
InChI=1S/C13H12S/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey
ORKZATPRQQSLDT-UHFFFAOYSA-N
Compound name
diphenylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2264
Patents

200.06598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.073256 141.3
[M+Na]+ 223.055198 148.7
[M-H]- 199.058704 148.2
[M+NH4]+ 218.099803 160.9
[M+K]+ 239.029138 144.7
[M+H-H2O]+ 183.063240 134.7
[M+HCOO]- 245.064181 160.1
[M+CH3COO]- 259.079831 154.6
[M+Na-2H]- 221.040646 145.7
[M]+ 200.06543142 141.8
[M]- 200.06652858 141.8
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