CID 3001408

127351-05-7

Structural Information

Molecular Formula
C14H11Cl2NS
SMILES
CC1=CC=C(C=C1)C(=S)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NS/c1-9-2-4-10(5-3-9)14(18)17-11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)
InChIKey
IFEUPGWJMCGPEK-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-4-methylbenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.99893 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.00621 160.9
[M+Na]+ 317.98815 170.7
[M-H]- 293.99165 167.6
[M+NH4]+ 313.03275 178.3
[M+K]+ 333.96209 162.9
[M+H-H2O]+ 277.99619 155.9
[M+HCOO]- 339.99713 170.6
[M+CH3COO]- 354.01278 172.8
[M+Na-2H]- 315.97360 162.0
[M]+ 294.99838 164.6
[M]- 294.99948 164.6
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

No patent data available for this compound.