CID 351190

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

Structural Information

Molecular Formula
C10H8N2O3S
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)O
InChI
InChI=1S/C10H8N2O3S/c13-8(14)6-16-10-12-11-9(15-10)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKey
VKPCKQCSWWCRFI-UHFFFAOYSA-N
Compound name
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

20
Patents

236.02556 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.03284 148.1
[M+Na]+ 259.01478 157.5
[M-H]- 235.01828 152.4
[M+NH4]+ 254.05938 163.5
[M+K]+ 274.98872 155.2
[M+H-H2O]+ 219.02282 141.0
[M+HCOO]- 281.02376 164.7
[M+CH3COO]- 295.03941 183.8
[M+Na-2H]- 257.00023 151.0
[M]+ 236.02501 152.0
[M]- 236.02611 152.0
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

patents stripe