CID 20406527

2-bromo-5-tert-butyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C6H9BrN2S
SMILES
CC(C)(C)C1=NN=C(S1)Br
InChI
InChI=1S/C6H9BrN2S/c1-6(2,3)4-8-9-5(7)10-4/h1-3H3
InChIKey
NTCALTKEJCVOMO-UHFFFAOYSA-N
Compound name
2-bromo-5-tert-butyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

219.96698 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97426 135.1
[M+Na]+ 242.95620 137.4
[M+NH4]+ 238.00080 140.1
[M+K]+ 258.93014 138.2
[M-H]- 218.95970 134.2
[M+Na-2H]- 240.94165 137.5
[M]+ 219.96643 134.4
[M]- 219.96753 134.4
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