CID 21527107

1-bromo-6,7-dimethoxyisoquinoline

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
COC1=C(C=C2C(=C1)C=CN=C2Br)OC
InChI
InChI=1S/C11H10BrNO2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2/h3-6H,1-2H3
InChIKey
XJERWSWRQPHTIK-UHFFFAOYSA-N
Compound name
1-bromo-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.9895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 147.8
[M+Na]+ 289.97872 161.1
[M-H]- 265.98222 154.3
[M+NH4]+ 285.02332 168.3
[M+K]+ 305.95266 150.6
[M+H-H2O]+ 249.98676 147.3
[M+HCOO]- 311.98770 168.2
[M+CH3COO]- 326.00335 194.6
[M+Na-2H]- 287.96417 156.9
[M]+ 266.98895 170.1
[M]- 266.99005 170.1
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