CID 3038043

14255-92-6

Structural Information

Molecular Formula
C10H11ClN2S
SMILES
C=CCNC(=S)NC1=CC=CC=C1Cl
InChI
InChI=1S/C10H11ClN2S/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h2-6H,1,7H2,(H2,12,13,14)
InChIKey
FWQCKIRVRGDMSB-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.03314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04042 147.8
[M+Na]+ 249.02236 155.2
[M-H]- 225.02586 151.4
[M+NH4]+ 244.06696 166.9
[M+K]+ 264.99630 149.1
[M+H-H2O]+ 209.03040 142.5
[M+HCOO]- 271.03134 163.3
[M+CH3COO]- 285.04699 190.5
[M+Na-2H]- 247.00781 150.5
[M]+ 226.03259 148.7
[M]- 226.03369 148.7
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.