CID 56965720

4-(5-bromo-1,3,4-thiadiazol-2-yl)morpholine

Structural Information

Molecular Formula
C6H8BrN3OS
SMILES
C1COCCN1C2=NN=C(S2)Br
InChI
InChI=1S/C6H8BrN3OS/c7-5-8-9-6(12-5)10-1-3-11-4-2-10/h1-4H2
InChIKey
KNPRIAYJCRBMHL-UHFFFAOYSA-N
Compound name
4-(5-bromo-1,3,4-thiadiazol-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

248.95715 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.964426 135.0
[M+Na]+ 271.946368 147.5
[M-H]- 247.949874 141.5
[M+NH4]+ 266.990973 153.5
[M+K]+ 287.920308 138.3
[M+H-H2O]+ 231.954410 134.8
[M+HCOO]- 293.955351 147.9
[M+CH3COO]- 307.971001 149.9
[M+Na-2H]- 269.931816 140.2
[M]+ 248.95660142 153.2
[M]- 248.95769858 153.2
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