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]+ 227.040416 147.8
[M+Na]+ 249.022358 155.2
[M-H]- 225.025864 151.4
[M+NH4]+ 244.066963 166.9
[M+K]+ 264.996298 149.1
[M+H-H2O]+ 209.030400 142.5
[M+HCOO]- 271.031341 163.3
[M+CH3COO]- 285.046991 190.5
[M+Na-2H]- 247.007806 150.5
[M]+ 226.03259142 148.7
[M]- 226.03368858 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.