CID 690359

Akos001717595

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
CSC1=NN=C(O1)C2=CC=CC=C2O
InChI
InChI=1S/C9H8N2O2S/c1-14-9-11-10-8(13-9)6-4-2-3-5-7(6)12/h2-5,12H,1H3
InChIKey
JYEJBEBTNYSSEM-UHFFFAOYSA-N
Compound name
2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

208.03065 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03793 140.7
[M+Na]+ 231.01987 151.7
[M-H]- 207.02337 145.5
[M+NH4]+ 226.06447 157.9
[M+K]+ 246.99381 149.2
[M+H-H2O]+ 191.02791 134.1
[M+HCOO]- 253.02885 158.3
[M+CH3COO]- 267.04450 154.5
[M+Na-2H]- 229.00532 144.3
[M]+ 208.03010 144.6
[M]- 208.03120 144.6
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.