CID 64623854

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.6
[M+Na]+ 308.93038 157.1
[M-H]- 284.93388 150.8
[M+NH4]+ 303.97498 162.6
[M+K]+ 324.90432 146.3
[M+H-H2O]+ 268.93842 142.4
[M+HCOO]- 330.93936 160.6
[M+CH3COO]- 344.95501 158.6
[M+Na-2H]- 306.91583 148.3
[M]+ 285.94061 166.4
[M]- 285.94171 166.4
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

No patent data available for this compound.