CID 220327

4-hydroxyphenyl thiocyanate

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1O)SC#N

InChI

InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H

InChIKey

FMRRFPFZGPDDLZ-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl) thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 183
Patents: 151.00919 Da
Monoisotopic Mass: 2.1
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]+	152.016466	132.4
[M+Na]+	173.998408	143.7
[M-H]-	150.001914	135.8
[M+NH4]+	169.043013	151.9
[M+K]+	189.972348	140.4
[M+H-H2O]+	134.006450	121.2
[M+HCOO]-	196.007391	147.9
[M+CH3COO]-	210.023041	184.1
[M+Na-2H]-	171.983856	136.8
[M]+	151.00864142	128.8
[M]-	151.00973858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe