CID 3061820

1,2,4-triazine-3(2h)-thione, 5-(3,4-difluorophenyl)-

Structural Information

Molecular Formula
C9H5F2N3S
SMILES
C1=CC(=C(C=C1C2=NC(=S)NN=C2)F)F
InChI
InChI=1S/C9H5F2N3S/c10-6-2-1-5(3-7(6)11)8-4-12-14-9(15)13-8/h1-4H,(H,13,14,15)
InChIKey
NZXLECAWXWSMSZ-UHFFFAOYSA-N
Compound name
5-(3,4-difluorophenyl)-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01723 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02451 141.4
[M+Na]+ 248.00645 153.6
[M-H]- 224.00995 141.3
[M+NH4]+ 243.05105 155.9
[M+K]+ 263.98039 146.5
[M+H-H2O]+ 208.01449 131.9
[M+HCOO]- 270.01543 155.0
[M+CH3COO]- 284.03108 153.3
[M+Na-2H]- 245.99190 145.0
[M]+ 225.01668 139.0
[M]- 225.01778 139.0
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.