CID 155819625

2298159-00-7

Structural Information

Molecular Formula
C10H9BrClNO
SMILES
C1CN(CC2=C1C=CC(=C2)Br)C(=O)Cl
InChI
InChI=1S/C10H9BrClNO/c11-9-2-1-7-3-4-13(10(12)14)6-8(7)5-9/h1-2,5H,3-4,6H2
InChIKey
LYKNGAJJUYIAPT-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.9556 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.96288 148.2
[M+Na]+ 295.94482 160.4
[M-H]- 271.94832 153.8
[M+NH4]+ 290.98942 169.0
[M+K]+ 311.91876 147.9
[M+H-H2O]+ 255.95286 148.9
[M+HCOO]- 317.95380 161.0
[M+CH3COO]- 331.96945 192.3
[M+Na-2H]- 293.93027 155.2
[M]+ 272.95505 166.4
[M]- 272.95615 166.4
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

No patent data available for this compound.