CID 97190

46409-23-8

Structural Information

Molecular Formula
C9H10Cl2N4
SMILES
C=CCN(CC=C)C1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C9H10Cl2N4/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2
InChIKey
HZFDWUMFTMMDKS-UHFFFAOYSA-N
Compound name
4,6-dichloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

22
Patents

244.02826 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03554 150.0
[M+Na]+ 267.01748 160.0
[M-H]- 243.02098 150.0
[M+NH4]+ 262.06208 165.2
[M+K]+ 282.99142 154.5
[M+H-H2O]+ 227.02552 142.2
[M+HCOO]- 289.02646 162.4
[M+CH3COO]- 303.04211 196.6
[M+Na-2H]- 265.00293 155.1
[M]+ 244.02771 153.7
[M]- 244.02881 153.7
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