CID 3005416

Nsc698578

Structural Information

Molecular Formula

C₁₃H₁₀N₂OS

SMILES

C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)N

InChI

InChI=1S/C13H10N2OS/c14-13(17)15-8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H3,14,15,17)

InChIKey

VWBVBJPKRDFZHY-UHFFFAOYSA-N

Compound name

dibenzofuran-3-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.05139 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]+	243.05867	149.0
[M+Na]+	265.04061	159.4
[M-H]-	241.04411	155.7
[M+NH4]+	260.08521	169.4
[M+K]+	281.01455	155.3
[M+H-H2O]+	225.04865	143.7
[M+HCOO]-	287.04959	169.2
[M+CH3COO]-	301.06524	162.7
[M+Na-2H]-	263.02606	155.6
[M]+	242.05084	151.9
[M]-	242.05194	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe