CID 59555726

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

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CCC2=NC=CC(=C2C1)Br
InChI
InChI=1S/C9H10BrN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2
InChIKey
CQXCEWIDPHPVAH-UHFFFAOYSA-N
Compound name
4-bromo-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

210.99966 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 137.2
[M+Na]+ 233.988878 148.0
[M-H]- 209.992384 142.7
[M+NH4]+ 229.033483 159.4
[M+K]+ 249.962818 137.3
[M+H-H2O]+ 193.996920 137.4
[M+HCOO]- 255.997861 155.3
[M+CH3COO]- 270.013511 152.0
[M+Na-2H]- 231.974326 146.8
[M]+ 210.99911142 152.8
[M]- 211.00020858 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