CID 64624706

2-bromo-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C6H8BrN3S
SMILES
C1CCN(C1)C2=NN=C(S2)Br
InChI
InChI=1S/C6H8BrN3S/c7-5-8-9-6(11-5)10-3-1-2-4-10/h1-4H2
InChIKey
ZJKUKIRCJIXIHH-UHFFFAOYSA-N
Compound name
2-bromo-5-pyrrolidin-1-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

232.96223 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.96951 140.9
[M+Na]+ 255.95145 142.5
[M+NH4]+ 250.99605 145.9
[M+K]+ 271.92539 144.2
[M-H]- 231.95495 141.1
[M+Na-2H]- 253.93690 143.2
[M]+ 232.96168 140.2
[M]- 232.96278 140.2
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