CID 97122

2854-88-8

Structural Information

Molecular Formula
C5H6Cl2N4O
SMILES
CN(C1=NC(=NC(=N1)Cl)Cl)OC
InChI
InChI=1S/C5H6Cl2N4O/c1-11(12-2)5-9-3(6)8-4(7)10-5/h1-2H3
InChIKey
VPBDQQVQJHWTFG-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-methoxy-N-methyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

207.99187 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99915 135.8
[M+Na]+ 230.98109 146.8
[M-H]- 206.98459 136.5
[M+NH4]+ 226.02569 152.6
[M+K]+ 246.95503 144.2
[M+H-H2O]+ 190.98913 128.7
[M+HCOO]- 252.99007 149.5
[M+CH3COO]- 267.00572 188.6
[M+Na-2H]- 228.96654 143.2
[M]+ 207.99132 140.9
[M]- 207.99242 140.9
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