CID 64624707

5-bromo-n,n-diethyl-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H10BrN3S
SMILES
CCN(CC)C1=NN=C(S1)Br
InChI
InChI=1S/C6H10BrN3S/c1-3-10(4-2)6-9-8-5(7)11-6/h3-4H2,1-2H3
InChIKey
FGYQDBJISVECEF-UHFFFAOYSA-N
Compound name
5-bromo-N,N-diethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.97787 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.98515 133.5
[M+Na]+ 257.96709 146.7
[M-H]- 233.97059 139.5
[M+NH4]+ 253.01169 155.7
[M+K]+ 273.94103 136.6
[M+H-H2O]+ 217.97513 132.6
[M+HCOO]- 279.97607 151.6
[M+CH3COO]- 293.99172 191.0
[M+Na-2H]- 255.95254 138.5
[M]+ 234.97732 155.7
[M]- 234.97842 155.7
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

No patent data available for this compound.