CID 1821535

2,3-bis(4-bromophenyl)quinoxaline-6-carboxylic acid

Structural Information

Molecular Formula
C21H12Br2N2O2
SMILES
C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C21H12Br2N2O2/c22-15-6-1-12(2-7-15)19-20(13-3-8-16(23)9-4-13)25-18-11-14(21(26)27)5-10-17(18)24-19/h1-11H,(H,26,27)
InChIKey
MKRJYIZRCZUXDY-UHFFFAOYSA-N
Compound name
2,3-bis(4-bromophenyl)quinoxaline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

481.92654 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.93382 182.8
[M+Na]+ 504.91576 192.0
[M-H]- 480.91926 191.7
[M+NH4]+ 499.96036 193.6
[M+K]+ 520.88970 176.9
[M+H-H2O]+ 464.92380 189.0
[M+HCOO]- 526.92474 194.2
[M+CH3COO]- 540.94039 193.4
[M+Na-2H]- 502.90121 187.7
[M]+ 481.92599 216.5
[M]- 481.92709 216.5
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