CID 1926115

355433-74-8

Structural Information

Molecular Formula
C22H13Br2NO2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC=C(C=C4)Br
InChI
InChI=1S/C22H13Br2NO2/c23-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)25-21)22(26)27-17-11-9-16(24)10-12-17/h1-13H
InChIKey
YKEPBXVHKZNQMU-UHFFFAOYSA-N
Compound name
(4-bromophenyl) 2-(4-bromophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.9313 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.93858 186.0
[M+Na]+ 503.92052 194.8
[M-H]- 479.92402 196.6
[M+NH4]+ 498.96512 198.2
[M+K]+ 519.89446 180.4
[M+H-H2O]+ 463.92856 192.3
[M+HCOO]- 525.92950 199.2
[M+CH3COO]- 539.94515 197.0
[M+Na-2H]- 501.90597 190.9
[M]+ 480.93075 220.4
[M]- 480.93185 220.4
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.