CID 63383726

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

Structural Information

Molecular Formula
C7H9BrN2OS
SMILES
C1COCCC1C2=NN=C(S2)Br
InChI
InChI=1S/C7H9BrN2OS/c8-7-10-9-6(12-7)5-1-3-11-4-2-5/h5H,1-4H2
InChIKey
OJBZZQGPZIRQEX-UHFFFAOYSA-N
Compound name
2-bromo-5-(oxan-4-yl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.9619 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.969176 137.1
[M+Na]+ 270.951118 149.1
[M-H]- 246.954624 144.7
[M+NH4]+ 265.995723 156.9
[M+K]+ 286.925058 139.8
[M+H-H2O]+ 230.959160 137.3
[M+HCOO]- 292.960101 150.8
[M+CH3COO]- 306.975751 152.2
[M+Na-2H]- 268.936566 141.9
[M]+ 247.96135142 155.1
[M]- 247.96244858 155.1
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.