CID 720773

2-(2,4-dichlorobenzoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C14H11Cl2N3OS
SMILES
C1=CC=C(C=C1)NC(=S)NNC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3OS/c15-9-6-7-11(12(16)8-9)13(20)18-19-14(21)17-10-4-2-1-3-5-10/h1-8H,(H,18,20)(H2,17,19,21)
InChIKey
PXWIEFCWWVDFBP-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorobenzoyl)amino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00728 172.9
[M+Na]+ 361.98922 180.1
[M-H]- 337.99272 179.2
[M+NH4]+ 357.03382 187.5
[M+K]+ 377.96316 172.7
[M+H-H2O]+ 321.99726 167.2
[M+HCOO]- 383.99820 184.1
[M+CH3COO]- 398.01385 210.4
[M+Na-2H]- 359.97467 174.8
[M]+ 338.99945 175.0
[M]- 339.00055 175.0
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.