CID 15957497

[5-chloro-2-[(2-thioxo-3h-1,3,4-oxadiazol-5-yl)methoxy]phenyl]-phenyl-methanone

Structural Information

Molecular Formula
C16H11ClN2O3S
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)OCC3=NNC(=S)O3
InChI
InChI=1S/C16H11ClN2O3S/c17-11-6-7-13(21-9-14-18-19-16(23)22-14)12(8-11)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,23)
InChIKey
OIUQVVAEGUDZIP-UHFFFAOYSA-N
Compound name
[5-chloro-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.01788 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.02516 175.7
[M+Na]+ 369.00710 186.3
[M-H]- 345.01060 183.4
[M+NH4]+ 364.05170 187.5
[M+K]+ 384.98104 180.2
[M+H-H2O]+ 329.01514 168.0
[M+HCOO]- 391.01608 187.2
[M+CH3COO]- 405.03173 186.9
[M+Na-2H]- 366.99255 176.0
[M]+ 346.01733 181.2
[M]- 346.01843 181.2
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.