CID 57992275

1289646-93-0

Structural Information

Molecular Formula
C10H9Cl2NO2
SMILES
C1CNCC2=CC(=C(C(=C21)Cl)C(=O)O)Cl
InChI
InChI=1S/C10H9Cl2NO2/c11-7-3-5-4-13-2-1-6(5)9(12)8(7)10(14)15/h3,13H,1-2,4H2,(H,14,15)
InChIKey
XHRPRBRZRJWLMD-UHFFFAOYSA-N
Compound name
5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

245.00104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.00832 146.5
[M+Na]+ 267.99026 160.4
[M+NH4]+ 263.03486 155.1
[M+K]+ 283.96420 153.6
[M-H]- 243.99376 147.4
[M+Na-2H]- 265.97571 151.3
[M]+ 245.00049 149.2
[M]- 245.00159 149.2
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