CID 5381402

34712-15-7

Structural Information

Molecular Formula
C14H7Cl2N3
SMILES
C1=CC=C2C(=C1)C3=NC4=CC(=C(C=C4N=C3N2)Cl)Cl
InChI
InChI=1S/C14H7Cl2N3/c15-8-5-11-12(6-9(8)16)19-14-13(17-11)7-3-1-2-4-10(7)18-14/h1-6H,(H,18,19)
InChIKey
NMCOVSLCEMGHKK-UHFFFAOYSA-N
Compound name
2,3-dichloro-6H-indolo[3,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

287.0017 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.00898 158.9
[M+Na]+ 309.99092 174.5
[M-H]- 285.99442 160.4
[M+NH4]+ 305.03552 176.6
[M+K]+ 325.96486 165.2
[M+H-H2O]+ 269.99896 151.1
[M+HCOO]- 331.99990 169.2
[M+CH3COO]- 346.01555 171.2
[M+Na-2H]- 307.97637 167.4
[M]+ 287.00115 164.8
[M]- 287.00225 164.8
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