CID 2760689

1-(2,4,5-trichlorophenyl)-2-thiourea

Structural Information

Molecular Formula
C7H5Cl3N2S
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=S)N
InChI
InChI=1S/C7H5Cl3N2S/c8-3-1-5(10)6(2-4(3)9)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKey
MEDSQLVNGCCGMI-UHFFFAOYSA-N
Compound name
(2,4,5-trichlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.9239 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93118 147.6
[M+Na]+ 276.91312 157.4
[M-H]- 252.91662 150.0
[M+NH4]+ 271.95772 166.0
[M+K]+ 292.88706 150.5
[M+H-H2O]+ 236.92116 145.2
[M+HCOO]- 298.92210 152.8
[M+CH3COO]- 312.93775 194.7
[M+Na-2H]- 274.89857 147.7
[M]+ 253.92335 148.9
[M]- 253.92445 148.9
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