CID 17985048

4-amino-6-fluoroisoindolin-1-one

Structural Information

Molecular Formula
C8H7FN2O
SMILES
C1C2=C(C=C(C=C2N)F)C(=O)N1
InChI
InChI=1S/C8H7FN2O/c9-4-1-5-6(7(10)2-4)3-11-8(5)12/h1-2H,3,10H2,(H,11,12)
InChIKey
VNYPAFNRKZFPTD-UHFFFAOYSA-N
Compound name
4-amino-6-fluoro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

166.05424 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.06152 130.2
[M+Na]+ 189.04346 140.3
[M-H]- 165.04696 131.1
[M+NH4]+ 184.08806 151.6
[M+K]+ 205.01740 136.2
[M+H-H2O]+ 149.05150 123.9
[M+HCOO]- 211.05244 151.3
[M+CH3COO]- 225.06809 177.6
[M+Na-2H]- 187.02891 134.9
[M]+ 166.05369 125.6
[M]- 166.05479 125.6
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