CID 737139

1-(2-chlorophenyl)-2-thiourea

Structural Information

Molecular Formula
C7H7ClN2S
SMILES
C1=CC=C(C(=C1)NC(=S)N)Cl
InChI
InChI=1S/C7H7ClN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
YZUKKTCDYSIWKJ-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

287
Patents

186.00185 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.00913 135.2
[M+Na]+ 208.99107 143.6
[M-H]- 184.99457 138.8
[M+NH4]+ 204.03567 155.6
[M+K]+ 224.96501 138.4
[M+H-H2O]+ 168.99911 130.5
[M+HCOO]- 231.00005 150.9
[M+CH3COO]- 245.01570 182.4
[M+Na-2H]- 206.97652 138.4
[M]+ 186.00130 134.8
[M]- 186.00240 134.8
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