CID 1810299

N-(2,4-dichlorophenyl)hydrazinecarbothioamide

Structural Information

Molecular Formula
C7H7Cl2N3S
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=S)NN
InChI
InChI=1S/C7H7Cl2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKey
PEWKSNLNCRYBNV-UHFFFAOYSA-N
Compound name
1-amino-3-(2,4-dichlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

234.97377 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98105 146.1
[M+Na]+ 257.96299 154.7
[M-H]- 233.96649 149.3
[M+NH4]+ 253.00759 164.9
[M+K]+ 273.93693 148.2
[M+H-H2O]+ 217.97103 142.2
[M+HCOO]- 279.97197 157.7
[M+CH3COO]- 293.98762 192.6
[M+Na-2H]- 255.94844 148.3
[M]+ 234.97322 146.3
[M]- 234.97432 146.3
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