CID 64625076

2-bromo-5-(4-methoxyphenoxy)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C9H7BrN2O2S
SMILES
COC1=CC=C(C=C1)OC2=NN=C(S2)Br
InChI
InChI=1S/C9H7BrN2O2S/c1-13-6-2-4-7(5-3-6)14-9-12-11-8(10)15-9/h2-5H,1H3
InChIKey
WVYHIUZFXAIOME-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-methoxyphenoxy)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.94116 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.94844 146.0
[M+Na]+ 308.93038 150.1
[M+NH4]+ 303.97498 150.8
[M+K]+ 324.90432 150.0
[M-H]- 284.93388 147.2
[M+Na-2H]- 306.91583 150.6
[M]+ 285.94061 146.1
[M]- 285.94171 146.1
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