CID 3053962

Brn 0651492

Structural Information

Molecular Formula
C10H7Cl2N3S
SMILES
CSC1=NC(=CN=N1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H7Cl2N3S/c1-16-10-14-9(5-13-15-10)6-2-3-7(11)8(12)4-6/h2-5H,1H3
InChIKey
CJAWFQLKCCEWPW-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-3-methylsulfanyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.9738 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.98108 156.4
[M+Na]+ 293.96302 174.2
[M+NH4]+ 289.00762 165.7
[M+K]+ 309.93696 162.9
[M-H]- 269.96652 160.2
[M+Na-2H]- 291.94847 165.8
[M]+ 270.97325 161.3
[M]- 270.97435 161.3
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

No patent data available for this compound.