CID 3033519

Brn 0539167

Structural Information

Molecular Formula
C10H9ClN2O2S
SMILES
CC1=C(C=CC(=C1)OCC2=NNC(=S)O2)Cl
InChI
InChI=1S/C10H9ClN2O2S/c1-6-4-7(2-3-8(6)11)14-5-9-12-13-10(16)15-9/h2-4H,5H2,1H3,(H,13,16)
InChIKey
NUSNEUGVDAPAPW-UHFFFAOYSA-N
Compound name
5-[(4-chloro-3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.00732 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.014596 151.6
[M+Na]+ 278.996538 163.7
[M-H]- 255.000044 156.3
[M+NH4]+ 274.041143 167.8
[M+K]+ 294.970478 158.8
[M+H-H2O]+ 239.004580 145.5
[M+HCOO]- 301.005521 164.1
[M+CH3COO]- 315.021171 164.7
[M+Na-2H]- 276.981986 153.3
[M]+ 256.00677142 157.1
[M]- 256.00786858 157.1
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.