CID 2737167

4-phenyl-1,2,3-thiadiazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=C(C=C1)C2=C(SN=N2)C(=O)O
InChI
InChI=1S/C9H6N2O2S/c12-9(13)8-7(10-11-14-8)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKey
DQZLGXDVESJWKA-UHFFFAOYSA-N
Compound name
4-phenylthiadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

206.015 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02228 141.7
[M+Na]+ 229.00422 154.2
[M+NH4]+ 224.04882 149.6
[M+K]+ 244.97816 148.6
[M-H]- 205.00772 143.6
[M+Na-2H]- 226.98967 148.7
[M]+ 206.01445 144.3
[M]- 206.01555 144.3
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