CID 64157805

3-(1,3,4-thiadiazol-2-yloxy)aniline

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC(=CC(=C1)OC2=NN=CS2)N
InChI
InChI=1S/C8H7N3OS/c9-6-2-1-3-7(4-6)12-8-11-10-5-13-8/h1-5H,9H2
InChIKey
SMTIMCOMSQTOJY-UHFFFAOYSA-N
Compound name
3-(1,3,4-thiadiazol-2-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.03099 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 136.4
[M+Na]+ 216.02021 146.4
[M-H]- 192.02371 141.1
[M+NH4]+ 211.06481 155.2
[M+K]+ 231.99415 143.0
[M+H-H2O]+ 176.02825 129.0
[M+HCOO]- 238.02919 156.7
[M+CH3COO]- 252.04484 150.1
[M+Na-2H]- 214.00566 140.7
[M]+ 193.03044 137.7
[M]- 193.03154 137.7
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

No patent data available for this compound.