CID 63383902

2-bromo-5-cyclopentyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C7H9BrN2S
SMILES
C1CCC(C1)C2=NN=C(S2)Br
InChI
InChI=1S/C7H9BrN2S/c8-7-10-9-6(11-7)5-3-1-2-4-5/h5H,1-4H2
InChIKey
BAIJVEXVTVBSQM-UHFFFAOYSA-N
Compound name
2-bromo-5-cyclopentyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.96698 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97426 137.1
[M+Na]+ 254.95620 150.6
[M-H]- 230.95970 144.9
[M+NH4]+ 250.00080 160.8
[M+K]+ 270.93014 140.6
[M+H-H2O]+ 214.96424 137.6
[M+HCOO]- 276.96518 153.6
[M+CH3COO]- 290.98083 153.1
[M+Na-2H]- 252.94165 139.6
[M]+ 231.96643 155.6
[M]- 231.96753 155.6
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.