CID 5199224

S-(4-hydroxyphenyl) n-(2-chloro-6-methylphenyl)thiocarbamate

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₂S

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)SC2=CC=C(C=C2)O

InChI

InChI=1S/C14H12ClNO2S/c1-9-3-2-4-12(15)13(9)16-14(18)19-11-7-5-10(17)6-8-11/h2-8,17H,1H3,(H,16,18)

InChIKey

GREADCLEYGPBMZ-UHFFFAOYSA-N

Compound name

S-(4-hydroxyphenyl) N-(2-chloro-6-methylphenyl)carbamothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 293.02774 Da
Monoisotopic Mass: 3.4
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]+	294.035016	162.0
[M+Na]+	316.016958	170.9
[M-H]-	292.020464	168.1
[M+NH4]+	311.061563	178.3
[M+K]+	331.990898	164.5
[M+H-H2O]+	276.025000	156.2
[M+HCOO]-	338.025941	175.8
[M+CH3COO]-	352.041591	198.1
[M+Na-2H]-	314.002406	163.7
[M]+	293.02719142	165.5
[M]-	293.02828858	165.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe