CID 5273437

[(2,4-dichlorobenzoyl)amino]thiourea

Structural Information

Molecular Formula
C8H7Cl2N3OS
SMILES
C1=CC(=C(C=C1Cl)Cl)C(=O)NNC(=S)N
InChI
InChI=1S/C8H7Cl2N3OS/c9-4-1-2-5(6(10)3-4)7(14)12-13-8(11)15/h1-3H,(H,12,14)(H3,11,13,15)
InChIKey
HUWZDQPVJGAOFZ-UHFFFAOYSA-N
Compound name
[(2,4-dichlorobenzoyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

262.9687 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.97598 153.0
[M+Na]+ 285.95792 161.1
[M-H]- 261.96142 156.2
[M+NH4]+ 281.00252 170.5
[M+K]+ 301.93186 154.9
[M+H-H2O]+ 245.96596 149.0
[M+HCOO]- 307.96690 163.8
[M+CH3COO]- 321.98255 197.0
[M+Na-2H]- 283.94337 153.8
[M]+ 262.96815 153.7
[M]- 262.96925 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe