CID 5384257

Nsc317877

Structural Information

Molecular Formula
C15H6BrF3N4O2
SMILES
C1=CC2=C(C=C1C(F)(F)F)N=C3C4=C(C(=CC(=C4)Br)[N+](=O)[O-])NC3=N2
InChI
InChI=1S/C15H6BrF3N4O2/c16-7-4-8-12(11(5-7)23(24)25)22-14-13(8)20-10-3-6(15(17,18)19)1-2-9(10)21-14/h1-5H,(H,21,22)
InChIKey
STJJSMWIMJTWJB-UHFFFAOYSA-N
Compound name
9-bromo-7-nitro-2-(trifluoromethyl)-6H-indolo[2,3-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.96262 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.96990 185.0
[M+Na]+ 432.95184 199.7
[M-H]- 408.95534 187.3
[M+NH4]+ 427.99644 199.4
[M+K]+ 448.92578 181.8
[M+H-H2O]+ 392.95988 185.2
[M+HCOO]- 454.96082 198.9
[M+CH3COO]- 468.97647 210.8
[M+Na-2H]- 430.93729 195.5
[M]+ 409.96207 202.4
[M]- 409.96317 202.4
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.