CID 43148905

[1-(2,4-dichlorophenyl)ethyl]thiourea

Structural Information

Molecular Formula
C9H10Cl2N2S
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)NC(=S)N
InChI
InChI=1S/C9H10Cl2N2S/c1-5(13-9(12)14)7-3-2-6(10)4-8(7)11/h2-5H,1H3,(H3,12,13,14)
InChIKey
TZOJBQPAHVWAOP-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.99417 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.00145 149.9
[M+Na]+ 270.98339 158.1
[M-H]- 246.98689 153.0
[M+NH4]+ 266.02799 168.5
[M+K]+ 286.95733 151.8
[M+H-H2O]+ 230.99143 146.2
[M+HCOO]- 292.99237 159.0
[M+CH3COO]- 307.00802 195.0
[M+Na-2H]- 268.96884 149.7
[M]+ 247.99362 151.2
[M]- 247.99472 151.2
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

No patent data available for this compound.