CID 35637

Brn 0164452

Structural Information

Molecular Formula
C7H9Cl2N3S
SMILES
CCCCSC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C7H9Cl2N3S/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3
InChIKey
FRCJZVRRIQZXBL-UHFFFAOYSA-N
Compound name
2-butylsulfanyl-4,6-dichloro-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

236.98943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.996706 142.3
[M+Na]+ 259.978648 153.2
[M-H]- 235.982154 141.7
[M+NH4]+ 255.023253 158.3
[M+K]+ 275.952588 147.8
[M+H-H2O]+ 219.986690 135.9
[M+HCOO]- 281.987631 148.4
[M+CH3COO]- 296.003281 188.1
[M+Na-2H]- 257.964096 145.3
[M]+ 236.98888142 147.8
[M]- 236.98997858 147.8
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