CID 102533976

Ethyl 8-bromo-4-chloro-1,6-naphthyridine-3-carboxylate

Structural Information

Molecular Formula
C11H8BrClN2O2
SMILES
CCOC(=O)C1=C(C2=CN=CC(=C2N=C1)Br)Cl
InChI
InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)7-4-15-10-6(9(7)13)3-14-5-8(10)12/h3-5H,2H2,1H3
InChIKey
BSBLMXNEFWXNOI-UHFFFAOYSA-N
Compound name
ethyl 8-bromo-4-chloro-1,6-naphthyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

313.94577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.95305 153.8
[M+Na]+ 336.93499 168.1
[M-H]- 312.93849 158.9
[M+NH4]+ 331.97959 172.1
[M+K]+ 352.90893 155.6
[M+H-H2O]+ 296.94303 153.4
[M+HCOO]- 358.94397 167.9
[M+CH3COO]- 372.95962 200.0
[M+Na-2H]- 334.92044 161.8
[M]+ 313.94522 177.2
[M]- 313.94632 177.2
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

patents stripe