CID 15920526

(3-chloro-4-methoxyphenyl)thiourea

Structural Information

Molecular Formula
C8H9ClN2OS
SMILES
COC1=C(C=C(C=C1)NC(=S)N)Cl
InChI
InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(4-6(7)9)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
InChIKey
AKTRNWGJVKXGOV-UHFFFAOYSA-N
Compound name
(3-chloro-4-methoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

216.0124 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.01968 142.7
[M+Na]+ 239.00162 151.4
[M-H]- 215.00512 146.5
[M+NH4]+ 234.04622 162.2
[M+K]+ 254.97556 146.5
[M+H-H2O]+ 199.00966 137.8
[M+HCOO]- 261.01060 158.3
[M+CH3COO]- 275.02625 188.6
[M+Na-2H]- 236.98707 144.9
[M]+ 216.01185 144.5
[M]- 216.01295 144.5
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