CID 21750338

3-bromo-1,2,4-thiadiazole

Structural Information

Molecular Formula
C2HBrN2S
SMILES
C1=NC(=NS1)Br
InChI
InChI=1S/C2HBrN2S/c3-2-4-1-6-5-2/h1H
InChIKey
YMWZHPCPDUFQAL-UHFFFAOYSA-N
Compound name
3-bromo-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

163.90437 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.91165 112.4
[M+Na]+ 186.89359 127.5
[M-H]- 162.89709 117.6
[M+NH4]+ 181.93819 137.0
[M+K]+ 202.86753 117.7
[M+H-H2O]+ 146.90163 113.3
[M+HCOO]- 208.90257 130.7
[M+CH3COO]- 222.91822 130.0
[M+Na-2H]- 184.87904 120.3
[M]+ 163.90382 132.7
[M]- 163.90492 132.7
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