CID 3065252

Brn 5124384

Structural Information

Molecular Formula
C21H15Cl2N3
SMILES
C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NC4=CC=CC=C4N2)CCl)Cl
InChI
InChI=1S/C21H15Cl2N3/c22-13-20-24-17-11-10-15(23)12-16(17)21(14-6-2-1-3-7-14)26-19-9-5-4-8-18(19)25-20/h1-12,26H,13H2
InChIKey
QGECICVKOZNMLQ-UHFFFAOYSA-N
Compound name
2-chloro-6-(chloromethyl)-13-phenyl-12H-benzo[d][1,3,7]benzotriazonine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.0643 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.07158 206.1
[M+Na]+ 402.05352 201.5
[M-H]- 378.05702 203.4
[M+NH4]+ 397.09812 203.6
[M+K]+ 418.02746 202.2
[M+H-H2O]+ 362.06156 195.2
[M+HCOO]- 424.06250 204.0
[M+CH3COO]- 438.07815 204.4
[M+Na-2H]- 400.03897 204.9
[M]+ 379.06375 203.7
[M]- 379.06485 203.7
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.