CID 7175947

(5-chloropyridin-2-yl)thiourea

Structural Information

Molecular Formula
C6H6ClN3S
SMILES
C1=CC(=NC=C1Cl)NC(=S)N
InChI
InChI=1S/C6H6ClN3S/c7-4-1-2-5(9-3-4)10-6(8)11/h1-3H,(H3,8,9,10,11)
InChIKey
WEGKERUDVFDIST-UHFFFAOYSA-N
Compound name
(5-chloropyridin-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

186.9971 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00438 134.5
[M+Na]+ 209.98632 143.3
[M-H]- 185.98982 136.8
[M+NH4]+ 205.03092 153.5
[M+K]+ 225.96026 138.3
[M+H-H2O]+ 169.99436 129.0
[M+HCOO]- 231.99530 149.2
[M+CH3COO]- 246.01095 182.0
[M+Na-2H]- 207.97177 138.3
[M]+ 186.99655 134.2
[M]- 186.99765 134.2
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