CID 14795867

127168-78-9

Structural Information

Molecular Formula
C8H8FN
SMILES
C1C2=C(CN1)C(=CC=C2)F
InChI
InChI=1S/C8H8FN/c9-8-3-1-2-6-4-10-5-7(6)8/h1-3,10H,4-5H2
InChIKey
UDBMWFNXDSVYBR-UHFFFAOYSA-N
Compound name
4-fluoro-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

137.06407 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07135 124.2
[M+Na]+ 160.05329 133.1
[M-H]- 136.05679 124.9
[M+NH4]+ 155.09789 147.0
[M+K]+ 176.02723 129.6
[M+H-H2O]+ 120.06133 117.8
[M+HCOO]- 182.06227 144.6
[M+CH3COO]- 196.07792 137.9
[M+Na-2H]- 158.03874 130.9
[M]+ 137.06352 119.8
[M]- 137.06462 119.8
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