CID 2758211

4-(2,5-dichlorophenyl)-3-thiosemicarbazide

Structural Information

Molecular Formula

C₇H₇Cl₂N₃S

SMILES

C1=CC(=C(C=C1Cl)NC(=S)NN)Cl

InChI

InChI=1S/C7H7Cl2N3S/c8-4-1-2-5(9)6(3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)

InChIKey

XBDSQQOEXKOZJQ-UHFFFAOYSA-N

Compound name

1-amino-3-(2,5-dichlorophenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 234.97377 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.