CID 59818248

923022-53-1

Structural Information

Molecular Formula
C9H5ClFNO
SMILES
C1=CNC(=O)C2=CC(=C(C=C21)F)Cl
InChI
InChI=1S/C9H5ClFNO/c10-7-4-6-5(3-8(7)11)1-2-12-9(6)13/h1-4H,(H,12,13)
InChIKey
BFLNRHDKVKSYSV-UHFFFAOYSA-N
Compound name
7-chloro-6-fluoro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

197.00436 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01164 133.0
[M+Na]+ 219.99358 145.4
[M-H]- 195.99708 134.3
[M+NH4]+ 215.03818 152.9
[M+K]+ 235.96752 139.3
[M+H-H2O]+ 180.00162 127.0
[M+HCOO]- 242.00256 149.4
[M+CH3COO]- 256.01821 146.8
[M+Na-2H]- 217.97903 140.9
[M]+ 197.00381 133.2
[M]- 197.00491 133.2
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