CID 34152

S-phenyl 2-naphthalenethiocarboxylate

Structural Information

Molecular Formula
C17H12OS
SMILES
C1=CC=C(C=C1)SC(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H12OS/c18-17(19-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12H
InChIKey
OONFEZOOKHKYQL-UHFFFAOYSA-N
Compound name
S-phenyl naphthalene-2-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06088 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06816 156.5
[M+Na]+ 287.05010 173.1
[M+NH4]+ 282.09470 167.5
[M+K]+ 303.02404 161.5
[M-H]- 263.05360 163.1
[M+Na-2H]- 285.03555 167.4
[M]+ 264.06033 161.6
[M]- 264.06143 161.6
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.