CID 2774463

5-fluoroindoline

Structural Information

Molecular Formula
C8H8FN
SMILES
C1CNC2=C1C=C(C=C2)F
InChI
InChI=1S/C8H8FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2
InChIKey
NXQRMQIYCWFDGP-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

642
Patents

137.06407 Da
Monoisotopic Mass

2.3
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