CID 478703

Rck7

Structural Information

Molecular Formula
C15H8BrClN2O2
SMILES
C1=CC2=C(C(=O)C(=C(C2=O)NC3=CC=C(C=C3)Br)Cl)N=C1
InChI
InChI=1S/C15H8BrClN2O2/c16-8-3-5-9(6-4-8)19-13-11(17)15(21)12-10(14(13)20)2-1-7-18-12/h1-7,19H
InChIKey
OQLGLFWMUKSUDP-UHFFFAOYSA-N
Compound name
6-(4-bromoanilino)-7-chloroquinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.94577 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.95305 168.9
[M+Na]+ 384.93499 182.7
[M-H]- 360.93849 178.0
[M+NH4]+ 379.97959 185.9
[M+K]+ 400.90893 168.5
[M+H-H2O]+ 344.94303 167.5
[M+HCOO]- 406.94397 184.7
[M+CH3COO]- 420.95962 182.7
[M+Na-2H]- 382.92044 175.8
[M]+ 361.94522 189.5
[M]- 361.94632 189.5
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