CID 227767

58792-15-7

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=C(C=C1)C2=C(N=NS2)C(=O)O
InChI
InChI=1S/C9H6N2O2S/c12-9(13)7-8(14-11-10-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKey
XPQVOJPPGWAQKB-UHFFFAOYSA-N
Compound name
5-phenylthiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
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 140.8
[M+Na]+ 229.00422 150.6
[M-H]- 205.00772 144.7
[M+NH4]+ 224.04882 158.8
[M+K]+ 244.97816 147.1
[M+H-H2O]+ 189.01226 133.9
[M+HCOO]- 251.01320 158.3
[M+CH3COO]- 265.02885 154.0
[M+Na-2H]- 226.98967 143.4
[M]+ 206.01445 142.5
[M]- 206.01555 142.5
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