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 135.8
[M+Na]+ 217.01545 145.9
[M-H]- 193.01895 138.4
[M+NH4]+ 212.06005 152.8
[M+K]+ 232.98939 142.0
[M+H-H2O]+ 177.02349 128.1
[M+HCOO]- 239.02443 154.3
[M+CH3COO]- 253.04008 148.8
[M+Na-2H]- 215.00090 141.1
[M]+ 194.02568 136.4
[M]- 194.02678 136.4
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