CID 720787

266312-56-5

Structural Information

Molecular Formula
C9H9Cl2N3OS
SMILES
CNC(=S)NNC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2N3OS/c1-12-9(16)14-13-8(15)6-3-2-5(10)4-7(6)11/h2-4H,1H3,(H,13,15)(H2,12,14,16)
InChIKey
CTMFVCZCHPSVBI-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorobenzoyl)amino]-3-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.98434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.99162 159.6
[M+Na]+ 299.97356 169.9
[M+NH4]+ 295.01816 167.3
[M+K]+ 315.94750 161.8
[M-H]- 275.97706 162.1
[M+Na-2H]- 297.95901 164.6
[M]+ 276.98379 162.5
[M]- 276.98489 162.5
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

No patent data available for this compound.