CID 64157804

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

Structural Information

Molecular Formula
C8H7N3OS
SMILES
C1=CC(=CC=C1N)OC2=NN=CS2
InChI
InChI=1S/C8H7N3OS/c9-6-1-3-7(4-2-6)12-8-11-10-5-13-8/h1-5H,9H2
InChIKey
IPJQHEBFJPLRLZ-UHFFFAOYSA-N
Compound name
4-(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]+ 194.038266 136.4
[M+Na]+ 216.020208 146.4
[M-H]- 192.023714 141.1
[M+NH4]+ 211.064813 155.2
[M+K]+ 231.994148 143.0
[M+H-H2O]+ 176.028250 129.0
[M+HCOO]- 238.029191 156.7
[M+CH3COO]- 252.044841 150.1
[M+Na-2H]- 214.005656 140.7
[M]+ 193.03044142 137.7
[M]- 193.03153858 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.