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]+ 271.03026 156.0
[M+Na]+ 293.01220 166.0
[M-H]- 269.01570 158.0
[M+NH4]+ 288.05680 173.8
[M+K]+ 308.98614 159.3
[M+H-H2O]+ 253.02024 150.9
[M+HCOO]- 315.02118 164.9
[M+CH3COO]- 329.03683 186.8
[M+Na-2H]- 290.99765 156.2
[M]+ 270.02243 156.5
[M]- 270.02353 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.