CID 12874685

2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C3BrF3N2S
SMILES
C1(=NN=C(S1)Br)C(F)(F)F
InChI
InChI=1S/C3BrF3N2S/c4-2-9-8-1(10-2)3(5,6)7
InChIKey
LGTVLLPQCMJOGT-UHFFFAOYSA-N
Compound name
2-bromo-5-(trifluoromethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

231.89177 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.89905 128.1
[M+Na]+ 254.88099 143.8
[M-H]- 230.88449 129.7
[M+NH4]+ 249.92559 150.1
[M+K]+ 270.85493 132.6
[M+H-H2O]+ 214.88903 126.6
[M+HCOO]- 276.88997 141.5
[M+CH3COO]- 290.90562 182.3
[M+Na-2H]- 252.86644 133.5
[M]+ 231.89122 145.1
[M]- 231.89232 145.1
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