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

28
Patents

239.03287 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04015 145.8
[M+Na]+ 262.02209 157.7
[M-H]- 238.02559 146.9
[M+NH4]+ 257.06669 160.5
[M+K]+ 277.99603 152.0
[M+H-H2O]+ 222.03013 135.6
[M+HCOO]- 284.03107 160.4
[M+CH3COO]- 298.04672 158.0
[M+Na-2H]- 260.00754 149.4
[M]+ 239.03232 146.3
[M]- 239.03342 146.3
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