CID 66742624

1352398-60-7

Structural Information

Molecular Formula
C9H7F2NO
SMILES
C1CNC(=O)C2=C1C=C(C=C2F)F
InChI
InChI=1S/C9H7F2NO/c10-6-3-5-1-2-12-9(13)8(5)7(11)4-6/h3-4H,1-2H2,(H,12,13)
InChIKey
DEXCEHXNZXFSQM-UHFFFAOYSA-N
Compound name
6,8-difluoro-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

183.04958 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.056856 133.4
[M+Na]+ 206.038798 143.1
[M-H]- 182.042304 132.9
[M+NH4]+ 201.083403 152.8
[M+K]+ 222.012738 138.7
[M+H-H2O]+ 166.046840 125.8
[M+HCOO]- 228.047781 150.5
[M+CH3COO]- 242.063431 179.5
[M+Na-2H]- 204.024246 139.2
[M]+ 183.04903142 127.6
[M]- 183.05012858 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe