CID 124252639

8-bromo-6-fluoroisoquinoline

Structural Information

Molecular Formula
C9H5BrFN
SMILES
C1=CN=CC2=C(C=C(C=C21)F)Br
InChI
InChI=1S/C9H5BrFN/c10-9-4-7(11)3-6-1-2-12-5-8(6)9/h1-5H
InChIKey
HCZGXSHJAQARMI-UHFFFAOYSA-N
Compound name
8-bromo-6-fluoroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

224.95894 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96622 136.9
[M+Na]+ 247.94816 150.6
[M-H]- 223.95166 142.2
[M+NH4]+ 242.99276 158.9
[M+K]+ 263.92210 139.0
[M+H-H2O]+ 207.95620 136.4
[M+HCOO]- 269.95714 156.8
[M+CH3COO]- 283.97279 152.6
[M+Na-2H]- 245.93361 147.2
[M]+ 224.95839 154.6
[M]- 224.95949 154.6
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

patents stripe