CID 2060896

3,5-dichlorothiobenzamide

Structural Information

Molecular Formula

C₇H₅Cl₂NS

SMILES

C1=C(C=C(C=C1Cl)Cl)C(=S)N

InChI

InChI=1S/C7H5Cl2NS/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H2,10,11)

InChIKey

DQYCYBQFAAOJAR-UHFFFAOYSA-N

Compound name

3,5-dichlorobenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 204.95198 Da
Monoisotopic Mass: 2.7
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]+	205.95926	139.5
[M+Na]+	227.94120	153.3
[M+NH4]+	222.98580	149.5
[M+K]+	243.91514	143.9
[M-H]-	203.94470	142.7
[M+Na-2H]-	225.92665	146.1
[M]+	204.95143	143.5
[M]-	204.95253	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe