CID 53485154

3-bromo-5,6,7,8-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CCC2=C(C1)C=C(C=N2)Br
InChI
InChI=1S/C9H10BrN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h5-6H,1-4H2
InChIKey
FKERWWYCYWMBHC-UHFFFAOYSA-N
Compound name
3-bromo-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

210.99966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 136.1
[M+Na]+ 233.98888 140.6
[M+NH4]+ 229.03348 142.6
[M+K]+ 249.96282 139.1
[M-H]- 209.99238 137.7
[M+Na-2H]- 231.97433 140.5
[M]+ 210.99911 136.1
[M]- 211.00021 136.1
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