CID 84713349

4-bromo-1-chloro-7-methoxyisoquinoline

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
COC1=CC2=C(C=C1)C(=CN=C2Cl)Br
InChI
InChI=1S/C10H7BrClNO/c1-14-6-2-3-7-8(4-6)10(12)13-5-9(7)11/h2-5H,1H3
InChIKey
XNCSDEUKPCVVBQ-UHFFFAOYSA-N
Compound name
4-bromo-1-chloro-7-methoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.93994 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.94722 145.0
[M+Na]+ 293.92916 159.9
[M-H]- 269.93266 151.4
[M+NH4]+ 288.97376 166.3
[M+K]+ 309.90310 147.2
[M+H-H2O]+ 253.93720 145.6
[M+HCOO]- 315.93814 161.2
[M+CH3COO]- 329.95379 160.7
[M+Na-2H]- 291.91461 154.3
[M]+ 270.93939 167.5
[M]- 270.94049 167.5
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.