CID 18506847

31545-32-1

Structural Information

Molecular Formula
C6H5Cl2N3S
SMILES
C1=C(C=NC(=C1Cl)NC(=S)N)Cl
InChI
InChI=1S/C6H5Cl2N3S/c7-3-1-4(8)5(10-2-3)11-6(9)12/h1-2H,(H3,9,10,11,12)
InChIKey
RRWWUBPSZSTRRC-UHFFFAOYSA-N
Compound name
(3,5-dichloropyridin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

220.95813 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.96541 140.3
[M+Na]+ 243.94735 150.1
[M-H]- 219.95085 142.3
[M+NH4]+ 238.99195 158.7
[M+K]+ 259.92129 144.0
[M+H-H2O]+ 203.95539 136.0
[M+HCOO]- 265.95633 150.0
[M+CH3COO]- 279.97198 187.9
[M+Na-2H]- 241.93280 142.7
[M]+ 220.95758 141.3
[M]- 220.95868 141.3
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

patents stripe