CID 21853303

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

Structural Information

Molecular Formula
C9H7BrN2OS
SMILES
COC1=CC=C(C=C1)C2=NN=C(S2)Br
InChI
InChI=1S/C9H7BrN2OS/c1-13-7-4-2-6(3-5-7)8-11-12-9(10)14-8/h2-5H,1H3
InChIKey
CSJMDWGXEYTNIH-UHFFFAOYSA-N
Compound name
2-bromo-5-(4-methoxyphenyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.94626 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.95354 142.3
[M+Na]+ 292.93548 146.9
[M+NH4]+ 287.98008 147.7
[M+K]+ 308.90942 146.4
[M-H]- 268.93898 144.0
[M+Na-2H]- 290.92093 147.4
[M]+ 269.94571 142.7
[M]- 269.94681 142.7
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.