CID 132327891

1,4-dibromo-6-fluoroisoquinoline

Structural Information

Molecular Formula
C9H4Br2FN
SMILES
C1=CC2=C(C=C1F)C(=CN=C2Br)Br
InChI
InChI=1S/C9H4Br2FN/c10-8-4-13-9(11)6-2-1-5(12)3-7(6)8/h1-4H
InChIKey
AJAAUHZIOPEWFB-UHFFFAOYSA-N
Compound name
1,4-dibromo-6-fluoroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.86945 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.87673 139.3
[M+Na]+ 325.85867 152.0
[M-H]- 301.86217 145.3
[M+NH4]+ 320.90327 158.6
[M+K]+ 341.83261 136.6
[M+H-H2O]+ 285.86671 147.3
[M+HCOO]- 347.86765 154.1
[M+CH3COO]- 361.88330 153.8
[M+Na-2H]- 323.84412 148.2
[M]+ 302.86890 172.8
[M]- 302.87000 172.8
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.