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

323
Patents

210.99966 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 138.1
[M+Na]+ 233.98888 148.4
[M-H]- 209.99238 142.2
[M+NH4]+ 229.03348 159.5
[M+K]+ 249.96282 136.7
[M+H-H2O]+ 193.99692 138.4
[M+HCOO]- 255.99786 154.7
[M+CH3COO]- 270.01351 152.2
[M+Na-2H]- 231.97433 147.1
[M]+ 210.99911 151.9
[M]- 211.00021 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