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

472
Patents

137.06407 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.071346 124.2
[M+Na]+ 160.053288 133.1
[M-H]- 136.056794 124.9
[M+NH4]+ 155.097893 147.0
[M+K]+ 176.027228 129.6
[M+H-H2O]+ 120.061330 117.8
[M+HCOO]- 182.062271 144.6
[M+CH3COO]- 196.077921 137.9
[M+Na-2H]- 158.038736 130.9
[M]+ 137.06352142 119.8
[M]- 137.06461858 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