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 157.5
[M+Na]+ 299.97356 165.2
[M-H]- 275.97706 161.1
[M+NH4]+ 295.01816 174.8
[M+K]+ 315.94750 159.1
[M+H-H2O]+ 259.98160 153.2
[M+HCOO]- 321.98254 168.6
[M+CH3COO]- 335.99819 199.9
[M+Na-2H]- 297.95901 158.7
[M]+ 276.98379 159.5
[M]- 276.98489 159.5
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.