CID 22064680

366452-96-2

Structural Information

Molecular Formula
C8H6FNO
SMILES
C1C2=C(C=CC=C2F)C(=O)N1
InChI
InChI=1S/C8H6FNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11)
InChIKey
GAHFFZDPDRNMNC-UHFFFAOYSA-N
Compound name
4-fluoro-2,3-dihydroisoindol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

151.04333 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 126.2
[M+Na]+ 174.03255 136.2
[M-H]- 150.03605 127.2
[M+NH4]+ 169.07715 148.5
[M+K]+ 190.00649 132.6
[M+H-H2O]+ 134.04059 120.0
[M+HCOO]- 196.04153 146.9
[M+CH3COO]- 210.05718 172.1
[M+Na-2H]- 172.01800 132.2
[M]+ 151.04278 122.9
[M]- 151.04388 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