CID 3061822

79784-47-7

Structural Information

Molecular Formula
C10H8FN3S
SMILES
CC1=C(C=CC(=C1)F)C2=NC(=S)NN=C2
InChI
InChI=1S/C10H8FN3S/c1-6-4-7(11)2-3-8(6)9-5-12-14-10(15)13-9/h2-5H,1H3,(H,13,14,15)
InChIKey
RUVNVCNMFIVNFZ-UHFFFAOYSA-N
Compound name
5-(4-fluoro-2-methylphenyl)-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04958 145.6
[M+Na]+ 244.03152 160.6
[M+NH4]+ 239.07612 153.2
[M+K]+ 260.00546 151.4
[M-H]- 220.03502 147.3
[M+Na-2H]- 242.01697 153.7
[M]+ 221.04175 148.7
[M]- 221.04285 148.7
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.