CID 3053040

69466-81-5

Structural Information

Molecular Formula

C₁₀H₇F₂N₃S

SMILES

CSC1=NC(=CN=N1)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C10H7F2N3S/c1-16-10-14-9(5-13-15-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3

InChIKey

HDNGATKOTVYSAC-UHFFFAOYSA-N

Compound name

5-(2,4-difluorophenyl)-3-methylsulfanyl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 239.03287 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.04015	148.9
[M+Na]+	262.02209	162.9
[M+NH4]+	257.06669	156.0
[M+K]+	277.99603	153.9
[M-H]-	238.02559	149.6
[M+Na-2H]-	260.00754	156.6
[M]+	239.03232	151.5
[M]-	239.03342	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe