CID 499545

Nsc684003

Structural Information

Molecular Formula

C₁₄H₁₅PS

SMILES

C1=CC=C(C=C1)P(CCS)C2=CC=CC=C2

InChI

InChI=1S/C14H15PS/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2

InChIKey

DJPUGZSLVKFBGD-UHFFFAOYSA-N

Compound name

2-diphenylphosphanylethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 246.0632 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.07048	153.3
[M+Na]+	269.05242	159.5
[M-H]-	245.05592	158.6
[M+NH4]+	264.09702	171.5
[M+K]+	285.02636	155.2
[M+H-H2O]+	229.06046	143.7
[M+HCOO]-	291.06140	177.0
[M+CH3COO]-	305.07705	193.7
[M+Na-2H]-	267.03787	152.9
[M]+	246.06265	155.0
[M]-	246.06375	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe