CID 2796860

4-(1,2,3-thiadiazol-4-yl)phenol

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CC(=CC=C1C2=CSN=N2)O
InChI
InChI=1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
InChIKey
WZYGGUZFRLVCJT-UHFFFAOYSA-N
Compound name
4-(thiadiazol-4-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

178.02008 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 133.1
[M+Na]+ 201.00930 143.7
[M-H]- 177.01280 137.0
[M+NH4]+ 196.05390 152.5
[M+K]+ 216.98324 140.0
[M+H-H2O]+ 161.01734 126.5
[M+HCOO]- 223.01828 151.6
[M+CH3COO]- 237.03393 147.0
[M+Na-2H]- 198.99475 137.3
[M]+ 178.01953 134.4
[M]- 178.02063 134.4
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