CID 865327

485334-66-5

Structural Information

Molecular Formula
C10H7ClN2O3S
SMILES
C1=CC=C(C(=C1)C2=NN=C(O2)SCC(=O)O)Cl
InChI
InChI=1S/C10H7ClN2O3S/c11-7-4-2-1-3-6(7)9-12-13-10(16-9)17-5-8(14)15/h1-4H,5H2,(H,14,15)
InChIKey
JANFAVUKCBTPSH-UHFFFAOYSA-N
Compound name
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.9866 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.99388 153.8
[M+Na]+ 292.97582 164.4
[M-H]- 268.97932 158.4
[M+NH4]+ 288.02042 168.9
[M+K]+ 308.94976 160.7
[M+H-H2O]+ 252.98386 147.4
[M+HCOO]- 314.98480 165.6
[M+CH3COO]- 329.00045 188.7
[M+Na-2H]- 290.96127 155.5
[M]+ 269.98605 159.8
[M]- 269.98715 159.8
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.