CID 3056931

4-phenoxybenzyl thiocyanate

Structural Information

Molecular Formula

C₁₄H₁₁NOS

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CSC#N

InChI

InChI=1S/C14H11NOS/c15-11-17-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9H,10H2

InChIKey

HZWXKVPCNDGWFA-UHFFFAOYSA-N

Compound name

(4-phenoxyphenyl)methyl thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.05614 Da
Monoisotopic Mass: 3.5
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]+	242.06342	150.2
[M+Na]+	264.04536	164.3
[M+NH4]+	259.08996	156.5
[M+K]+	280.01930	151.3
[M-H]-	240.04886	148.1
[M+Na-2H]-	262.03081	157.3
[M]+	241.05559	151.4
[M]-	241.05669	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.