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 143.6
[M+Na]+ 244.03152 155.4
[M-H]- 220.03502 144.7
[M+NH4]+ 239.07612 158.4
[M+K]+ 260.00546 148.5
[M+H-H2O]+ 204.03956 134.9
[M+HCOO]- 266.04050 157.9
[M+CH3COO]- 280.05615 155.7
[M+Na-2H]- 242.01697 147.3
[M]+ 221.04175 142.6
[M]- 221.04285 142.6
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.