CID 53816422

13807-42-6

Structural Information

Molecular Formula
C6H8Cl2N4O
SMILES
COCCNC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C6H8Cl2N4O/c1-13-3-2-9-6-11-4(7)10-5(8)12-6/h2-3H2,1H3,(H,9,10,11,12)
InChIKey
FSRCDPFTSUESLH-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-(2-methoxyethyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.00752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01480 141.1
[M+Na]+ 244.99674 151.5
[M-H]- 221.00024 140.1
[M+NH4]+ 240.04134 156.6
[M+K]+ 260.97068 147.2
[M+H-H2O]+ 205.00478 133.9
[M+HCOO]- 267.00572 153.8
[M+CH3COO]- 281.02137 188.1
[M+Na-2H]- 242.98219 148.5
[M]+ 222.00697 145.2
[M]- 222.00807 145.2
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.