CID 2795198

2-bromo-1,3,4-thiadiazole

Structural Information

Molecular Formula
C2HBrN2S
SMILES
C1=NN=C(S1)Br
InChI
InChI=1S/C2HBrN2S/c3-2-5-4-1-6-2/h1H
InChIKey
DQBCRVIBTFHJLM-UHFFFAOYSA-N
Compound name
2-bromo-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

588
Patents

163.90437 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe