CID 135480780

(3,4-dichloro-phenyl)-(6,7-difluoro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-amine

Structural Information

Molecular Formula
C15H9Cl2F2N3O2
SMILES
CC1=[N+](C2=CC(=C(C=C2[N+](=C1NC3=CC(=C(C=C3)Cl)Cl)[O-])F)F)[O-]
InChI
InChI=1S/C15H9Cl2F2N3O2/c1-7-15(20-8-2-3-9(16)10(17)4-8)22(24)14-6-12(19)11(18)5-13(14)21(7)23/h2-6,20H,1H3
InChIKey
CSPXLPJBKNDKPR-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-6,7-difluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

371.004 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.01128 181.4
[M+Na]+ 393.99322 191.6
[M-H]- 369.99672 180.6
[M+NH4]+ 389.03782 190.9
[M+K]+ 409.96716 174.9
[M+H-H2O]+ 354.00126 181.1
[M+HCOO]- 416.00220 188.9
[M+CH3COO]- 430.01785 201.4
[M+Na-2H]- 391.97867 186.6
[M]+ 371.00345 179.3
[M]- 371.00455 179.3
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

No patent data available for this compound.