CID 46942155

1019111-62-6

Structural Information

Molecular Formula
C5H7BrN2S
SMILES
CC(C)C1=NN=C(S1)Br
InChI
InChI=1S/C5H7BrN2S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3
InChIKey
ONBQFBOZPYFOOQ-UHFFFAOYSA-N
Compound name
2-bromo-5-propan-2-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

205.95132 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.958596 126.2
[M+Na]+ 228.940538 140.5
[M-H]- 204.944044 131.3
[M+NH4]+ 223.985143 149.3
[M+K]+ 244.914478 130.2
[M+H-H2O]+ 188.948580 126.7
[M+HCOO]- 250.949521 142.4
[M+CH3COO]- 264.965171 181.4
[M+Na-2H]- 226.925986 130.9
[M]+ 205.95077142 147.2
[M]- 205.95186858 147.2
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