CID 45090802

6-fluoroisoquinolin-1(2h)-one

Structural Information

Molecular Formula
C9H6FNO
SMILES
C1=CC2=C(C=CNC2=O)C=C1F
InChI
InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
InChIKey
VCCTUCDRIAEXLU-UHFFFAOYSA-N
Compound name
6-fluoro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

278
Patents

163.04333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05061 127.6
[M+Na]+ 186.03255 138.3
[M-H]- 162.03605 128.9
[M+NH4]+ 181.07715 147.7
[M+K]+ 202.00649 134.0
[M+H-H2O]+ 146.04059 120.7
[M+HCOO]- 208.04153 148.7
[M+CH3COO]- 222.05718 141.5
[M+Na-2H]- 184.01800 136.7
[M]+ 163.04278 125.4
[M]- 163.04388 125.4
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