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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.03502 162.0
[M+Na]+ 316.01696 170.9
[M-H]- 292.02046 168.1
[M+NH4]+ 311.06156 178.3
[M+K]+ 331.99090 164.5
[M+H-H2O]+ 276.02500 156.2
[M+HCOO]- 338.02594 175.8
[M+CH3COO]- 352.04159 198.1
[M+Na-2H]- 314.00241 163.7
[M]+ 293.02719 165.5
[M]- 293.02829 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe