CID 3032473

Brn 0800534

Structural Information

Molecular Formula
C11H11ClN2O2S
SMILES
CC1(C(=O)NC(=S)N1)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2O2S/c1-11(9(15)13-10(17)14-11)6-16-8-4-2-7(12)3-5-8/h2-5H,6H2,1H3,(H2,13,14,15,17)
InChIKey
QMXVSBYEDUQLDT-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenoxy)methyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.02298 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.030256 156.0
[M+Na]+ 293.012198 166.0
[M-H]- 269.015704 158.0
[M+NH4]+ 288.056803 173.8
[M+K]+ 308.986138 159.3
[M+H-H2O]+ 253.020240 150.9
[M+HCOO]- 315.021181 164.9
[M+CH3COO]- 329.036831 186.8
[M+Na-2H]- 290.997646 156.2
[M]+ 270.02243142 156.5
[M]- 270.02352858 156.5
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.