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]+ 257.01460 153.7
[M+Na]+ 278.99654 168.3
[M+NH4]+ 274.04114 161.6
[M+K]+ 294.97048 161.3
[M-H]- 255.00004 157.2
[M+Na-2H]- 276.98199 159.7
[M]+ 256.00677 157.5
[M]- 256.00787 157.5
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.