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]+ 272.94921 139.9
[M+Na]+ 294.93115 154.9
[M-H]- 270.93465 146.8
[M+NH4]+ 289.97575 160.5
[M+K]+ 310.90509 142.7
[M+H-H2O]+ 254.93919 139.1
[M+HCOO]- 316.94013 156.6
[M+CH3COO]- 330.95578 155.7
[M+Na-2H]- 292.91660 144.7
[M]+ 271.94138 160.2
[M]- 271.94248 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.