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
2
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]+ 195.033506 135.8
[M+Na]+ 217.015448 145.9
[M-H]- 193.018954 138.4
[M+NH4]+ 212.060053 152.8
[M+K]+ 232.989388 142.0
[M+H-H2O]+ 177.023490 128.1
[M+HCOO]- 239.024431 154.3
[M+CH3COO]- 253.040081 148.8
[M+Na-2H]- 215.000896 141.1
[M]+ 194.02568142 136.4
[M]- 194.02677858 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