CID 2594451

2-chloro-5-(methylsulfanyl)benzamide

Structural Information

Molecular Formula

SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N

InChI

InChI=1S/C8H8ClNOS/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H2,10,11)

InChIKey

NLPPJZYFXDIBNY-UHFFFAOYSA-N

Compound name

2-chloro-5-methylsulfanylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 201.00151 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]+	202.00879	139.6
[M+Na]+	223.99073	152.3
[M+NH4]+	219.03533	148.9
[M+K]+	239.96467	143.9
[M-H]-	199.99423	142.4
[M+Na-2H]-	221.97618	145.7
[M]+	201.00096	142.9
[M]-	201.00206	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe