CID 132398496

2172478-92-9

Structural Information

Molecular Formula
C3BrF3N2S2
SMILES
C1(=NN=C(S1)Br)SC(F)(F)F
InChI
InChI=1S/C3BrF3N2S2/c4-1-8-9-2(10-1)11-3(5,6)7
InChIKey
JOUDUNZWRUTHGY-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethylsulfanyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.86383 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.87111 125.6
[M+Na]+ 286.85305 141.8
[M-H]- 262.85655 127.1
[M+NH4]+ 281.89765 146.8
[M+K]+ 302.82699 129.4
[M+H-H2O]+ 246.86109 124.5
[M+HCOO]- 308.86203 134.1
[M+CH3COO]- 322.87768 186.9
[M+Na-2H]- 284.83850 129.4
[M]+ 263.86328 143.5
[M]- 263.86438 143.5
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.