CID 46318455

946418-98-0

Structural Information

Molecular Formula
C9H6ClFN2S
SMILES
C1=CC(=CC=C1CC2=NSC(=N2)Cl)F
InChI
InChI=1S/C9H6ClFN2S/c10-9-12-8(13-14-9)5-6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
RAIOGYGCVOVRIV-UHFFFAOYSA-N
Compound name
5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

227.99243 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.999706 141.7
[M+Na]+ 250.981648 153.8
[M-H]- 226.985154 145.5
[M+NH4]+ 246.026253 160.9
[M+K]+ 266.955588 148.3
[M+H-H2O]+ 210.989690 134.3
[M+HCOO]- 272.990631 155.3
[M+CH3COO]- 287.006281 155.3
[M+Na-2H]- 248.967096 143.9
[M]+ 227.99188142 144.9
[M]- 227.99297858 144.9
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