CID 35300

30369-88-1

Structural Information

Molecular Formula
C13H8Cl2N4
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)Cl)Cl
InChI
InChI=1S/C13H8Cl2N4/c14-11-17-12(15)19-13(18-11)16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,16,17,18,19)
InChIKey
DDGDKGONLRLJDM-UHFFFAOYSA-N
Compound name
4,6-dichloro-N-naphthalen-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

290.0126 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01988 160.0
[M+Na]+ 313.00182 171.3
[M-H]- 289.00532 162.7
[M+NH4]+ 308.04642 173.4
[M+K]+ 328.97576 163.6
[M+H-H2O]+ 273.00986 150.5
[M+HCOO]- 335.01080 171.3
[M+CH3COO]- 349.02645 171.0
[M+Na-2H]- 310.98727 168.7
[M]+ 290.01205 162.6
[M]- 290.01315 162.6
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