CID 20351760

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

Structural Information

Molecular Formula
C4H5BrN2OS
SMILES
COCC1=NN=C(S1)Br
InChI
InChI=1S/C4H5BrN2OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3
InChIKey
WLFHBDROTUDXEH-UHFFFAOYSA-N
Compound name
2-bromo-5-(methoxymethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

207.9306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.93788 129.1
[M+Na]+ 230.91982 131.7
[M+NH4]+ 225.96442 134.1
[M+K]+ 246.89376 132.3
[M-H]- 206.92332 128.4
[M+Na-2H]- 228.90527 131.7
[M]+ 207.93005 128.4
[M]- 207.93115 128.4
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

patents stripe