CID 35648

30894-74-7

Structural Information

Molecular Formula

C₆H₇Cl₂N₃

SMILES

CC(C)C1=NC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C6H7Cl2N3/c1-3(2)4-9-5(7)11-6(8)10-4/h3H,1-2H3

InChIKey

NRGJDHUSMZIRSC-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-propan-2-yl-1,3,5-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 191.00171 Da
Monoisotopic Mass: 3.1
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]+	192.00899	132.8
[M+Na]+	213.99093	144.0
[M-H]-	189.99443	132.0
[M+NH4]+	209.03553	150.0
[M+K]+	229.96487	139.8
[M+H-H2O]+	173.99897	126.3
[M+HCOO]-	235.99991	143.4
[M+CH3COO]-	250.01556	182.3
[M+Na-2H]-	211.97638	138.9
[M]+	191.00116	135.7
[M]-	191.00226	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe