CID 107629178

7-bromo-2-chloro-3-ethyl-8-methylquinoline

Structural Information

Molecular Formula
C12H11BrClN
SMILES
CCC1=C(N=C2C(=C(C=CC2=C1)Br)C)Cl
InChI
InChI=1S/C12H11BrClN/c1-3-8-6-9-4-5-10(13)7(2)11(9)15-12(8)14/h4-6H,3H2,1-2H3
InChIKey
HVNCNFGVCAQEFI-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-3-ethyl-8-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.97635 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98363 151.3
[M+Na]+ 305.96557 166.4
[M-H]- 281.96907 157.8
[M+NH4]+ 301.01017 172.6
[M+K]+ 321.93951 152.7
[M+H-H2O]+ 265.97361 151.9
[M+HCOO]- 327.97455 166.7
[M+CH3COO]- 341.99020 166.6
[M+Na-2H]- 303.95102 158.9
[M]+ 282.97580 173.5
[M]- 282.97690 173.5
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

No patent data available for this compound.