CID 13865047

7-bromo-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CC2=C(C=C(C=C2)Br)NC1
InChI
InChI=1S/C9H10BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h3-4,6,11H,1-2,5H2
InChIKey
DRVWZEWZXCZNAR-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

210.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.006936 138.1
[M+Na]+ 233.988878 148.4
[M-H]- 209.992384 142.2
[M+NH4]+ 229.033483 159.5
[M+K]+ 249.962818 136.7
[M+H-H2O]+ 193.996920 138.4
[M+HCOO]- 255.997861 154.7
[M+CH3COO]- 270.013511 152.2
[M+Na-2H]- 231.974326 147.1
[M]+ 210.99911142 151.9
[M]- 211.00020858 151.9
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