CID 2055044

Stk722196

Structural Information

Molecular Formula
C16H11ClN2O2S
SMILES
C1=CC=C(C=C1)C(=O)CSC2=NN=C(O2)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H11ClN2O2S/c17-13-9-5-4-8-12(13)15-18-19-16(21-15)22-10-14(20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
SSVWWFMEXAOUFD-UHFFFAOYSA-N
Compound name
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.02298 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03026 172.7
[M+Na]+ 353.01220 183.0
[M-H]- 329.01570 181.3
[M+NH4]+ 348.05680 185.7
[M+K]+ 368.98614 177.7
[M+H-H2O]+ 313.02024 164.5
[M+HCOO]- 375.02118 185.3
[M+CH3COO]- 389.03683 184.4
[M+Na-2H]- 350.99765 173.8
[M]+ 330.02243 178.9
[M]- 330.02353 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.