CID 65269255

3-(3,5-difluorophenyl)-n-methyl-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C9H7F2N3S
SMILES
CNC1=NC(=NS1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C9H7F2N3S/c1-12-9-13-8(14-15-9)5-2-6(10)4-7(11)3-5/h2-4H,1H3,(H,12,13,14)
InChIKey
FEFOWJZAJMCWGF-UHFFFAOYSA-N
Compound name
3-(3,5-difluorophenyl)-N-methyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.03287 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04015 141.6
[M+Na]+ 250.02209 153.1
[M-H]- 226.02559 144.4
[M+NH4]+ 245.06669 159.8
[M+K]+ 265.99603 148.3
[M+H-H2O]+ 210.03013 132.5
[M+HCOO]- 272.03107 159.7
[M+CH3COO]- 286.04672 154.8
[M+Na-2H]- 248.00754 143.7
[M]+ 227.03232 141.6
[M]- 227.03342 141.6
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.