CID 132398621

7-bromo-1-chloroisoquinoline-3-carbonyl chloride

Structural Information

Molecular Formula
C10H4BrCl2NO
SMILES
C1=CC(=CC2=C(N=C(C=C21)C(=O)Cl)Cl)Br
InChI
InChI=1S/C10H4BrCl2NO/c11-6-2-1-5-3-8(10(13)15)14-9(12)7(5)4-6/h1-4H
InChIKey
CIEVZVCFQWYPJY-UHFFFAOYSA-N
Compound name
7-bromo-1-chloroisoquinoline-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.8853 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.89258 147.4
[M+Na]+ 325.87452 162.8
[M-H]- 301.87802 153.3
[M+NH4]+ 320.91912 167.8
[M+K]+ 341.84846 148.8
[M+H-H2O]+ 285.88256 148.8
[M+HCOO]- 347.88350 158.1
[M+CH3COO]- 361.89915 162.5
[M+Na-2H]- 323.85997 155.2
[M]+ 302.88475 169.6
[M]- 302.88585 169.6
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.