CID 2731098

N-(2,4,6-trichlorophenyl)thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
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

No literature data available for this compound.

Patent stripe

patents stripe