CID 35294

30369-80-3

Structural Information

Molecular Formula
C6H6Cl2N4
SMILES
C=CCNC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C6H6Cl2N4/c1-2-3-9-6-11-4(7)10-5(8)12-6/h2H,1,3H2,(H,9,10,11,12)
InChIKey
MXCZYRJBEZWBSA-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-prop-2-enyl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

79
Patents

203.99695 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.004226 138.2
[M+Na]+ 226.986168 148.9
[M-H]- 202.989674 137.1
[M+NH4]+ 222.030773 154.3
[M+K]+ 242.960108 143.5
[M+H-H2O]+ 186.994210 131.1
[M+HCOO]- 248.995151 150.8
[M+CH3COO]- 263.010801 185.3
[M+Na-2H]- 224.971616 145.5
[M]+ 203.99640142 140.2
[M]- 203.99749858 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe