CID 63383904

2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole

Structural Information

Molecular Formula
C9H6BrFN2S
SMILES
C1=CC=C(C(=C1)CC2=NN=C(S2)Br)F
InChI
InChI=1S/C9H6BrFN2S/c10-9-13-12-8(14-9)5-6-3-1-2-4-7(6)11/h1-4H,5H2
InChIKey
PRFZDKLTMIPVLC-UHFFFAOYSA-N
Compound name
2-bromo-5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.94193 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.949206 139.9
[M+Na]+ 294.931148 154.9
[M-H]- 270.934654 146.8
[M+NH4]+ 289.975753 160.5
[M+K]+ 310.905088 142.7
[M+H-H2O]+ 254.939190 139.1
[M+HCOO]- 316.940131 156.6
[M+CH3COO]- 330.955781 155.7
[M+Na-2H]- 292.916596 144.7
[M]+ 271.94138142 160.2
[M]- 271.94247858 160.2
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.