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

46
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 137.2
[M+Na]+ 233.98888 148.0
[M-H]- 209.99238 142.7
[M+NH4]+ 229.03348 159.4
[M+K]+ 249.96282 137.3
[M+H-H2O]+ 193.99692 137.4
[M+HCOO]- 255.99786 155.3
[M+CH3COO]- 270.01351 152.0
[M+Na-2H]- 231.97433 146.8
[M]+ 210.99911 152.8
[M]- 211.00021 152.8
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