CID 19788097

1260666-80-5

Structural Information

Molecular Formula
C8H6FNO
SMILES
C1C2=C(C=CC(=C2)F)C(=O)N1
InChI
InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-10-8(7)11/h1-3H,4H2,(H,10,11)
InChIKey
NKCDELXKANYEQE-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

151.04333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.050606 126.2
[M+Na]+ 174.032548 136.2
[M-H]- 150.036054 127.2
[M+NH4]+ 169.077153 148.5
[M+K]+ 190.006488 132.6
[M+H-H2O]+ 134.040590 120.0
[M+HCOO]- 196.041531 146.9
[M+CH3COO]- 210.057181 172.1
[M+Na-2H]- 172.017996 132.2
[M]+ 151.04278142 122.9
[M]- 151.04387858 122.9
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