CID 39346052

7-bromo-2-chloro-3-ethylquinoline

Structural Information

Molecular Formula
C11H9BrClN
SMILES
CCC1=C(N=C2C=C(C=CC2=C1)Br)Cl
InChI
InChI=1S/C11H9BrClN/c1-2-7-5-8-3-4-9(12)6-10(8)14-11(7)13/h3-6H,2H2,1H3
InChIKey
SNQLRYSTCVHESD-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-3-ethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

268.9607 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.96798 147.0
[M+Na]+ 291.94992 161.6
[M-H]- 267.95342 153.2
[M+NH4]+ 286.99452 168.5
[M+K]+ 307.92386 148.2
[M+H-H2O]+ 251.95796 147.6
[M+HCOO]- 313.95890 162.7
[M+CH3COO]- 327.97455 162.4
[M+Na-2H]- 289.93537 155.8
[M]+ 268.96015 168.5
[M]- 268.96125 168.5
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