CID 3078430

Thiourea, n-(3-chlorophenyl)-n'-(2-(ethenyloxy)ethyl)-

Structural Information

Molecular Formula
C11H13ClN2OS
SMILES
C=COCCNC(=S)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H13ClN2OS/c1-2-15-7-6-13-11(16)14-10-5-3-4-9(12)8-10/h2-5,8H,1,6-7H2,(H2,13,14,16)
InChIKey
IQVXTBHOHKFGCD-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(2-ethenoxyethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

256.0437 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.05098 155.3
[M+Na]+ 279.03292 162.1
[M-H]- 255.03642 158.7
[M+NH4]+ 274.07752 173.1
[M+K]+ 295.00686 156.3
[M+H-H2O]+ 239.04096 149.5
[M+HCOO]- 301.04190 170.8
[M+CH3COO]- 315.05755 195.6
[M+Na-2H]- 277.01837 157.6
[M]+ 256.04315 158.0
[M]- 256.04425 158.0
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

No patent data available for this compound.