CID 35637

30894-61-2

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: 14
Patents: 236.98943 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.99671	142.3
[M+Na]+	259.97865	153.2
[M-H]-	235.98215	141.7
[M+NH4]+	255.02325	158.3
[M+K]+	275.95259	147.8
[M+H-H2O]+	219.98669	135.9
[M+HCOO]-	281.98763	148.4
[M+CH3COO]-	296.00328	188.1
[M+Na-2H]-	257.96410	145.3
[M]+	236.98888	147.8
[M]-	236.98998	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe