CID 3092530

2,5-dibromo-1,3,4-thiadiazole

Structural Information

Molecular Formula
C2Br2N2S
SMILES
C1(=NN=C(S1)Br)Br
InChI
InChI=1S/C2Br2N2S/c3-1-5-6-2(4)7-1
InChIKey
MNHUBBRVPVSVCM-UHFFFAOYSA-N
Compound name
2,5-dibromo-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
Patents

241.8149 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.82218 110.1
[M+Na]+ 264.80412 125.1
[M-H]- 240.80762 116.5
[M+NH4]+ 259.84872 132.0
[M+K]+ 280.77806 110.4
[M+H-H2O]+ 224.81216 119.5
[M+HCOO]- 286.81310 124.3
[M+CH3COO]- 300.82875 127.1
[M+Na-2H]- 262.78957 118.5
[M]+ 241.81435 146.0
[M]- 241.81545 146.0
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