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

28
Patents

207.9306 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.937876 123.9
[M+Na]+ 230.919818 138.7
[M-H]- 206.923324 129.0
[M+NH4]+ 225.964423 147.0
[M+K]+ 246.893758 128.7
[M+H-H2O]+ 190.927860 124.4
[M+HCOO]- 252.928801 141.7
[M+CH3COO]- 266.944451 179.6
[M+Na-2H]- 228.905266 130.2
[M]+ 207.93005142 146.5
[M]- 207.93114858 146.5
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