CID 90174

23567-67-1

Structural Information

Molecular Formula
C7H6N4OS
SMILES
C1=CC(=CC=C1NC2=NN=NS2)O
InChI
InChI=1S/C7H6N4OS/c12-6-3-1-5(2-4-6)8-7-9-10-11-13-7/h1-4,12H,(H,8,9,11)
InChIKey
HSMPDEMRJJNQME-UHFFFAOYSA-N
Compound name
4-(thiatriazol-5-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

194.02623 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.03351 137.0
[M+Na]+ 217.01545 149.2
[M+NH4]+ 212.06005 144.8
[M+K]+ 232.98939 143.6
[M-H]- 193.01895 139.3
[M+Na-2H]- 215.00090 144.7
[M]+ 194.02568 139.6
[M]- 194.02678 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe