CID 17819860

6-fluoro-1h-indene

Structural Information

Molecular Formula
C9H7F
SMILES
C1C=CC2=C1C=C(C=C2)F
InChI
InChI=1S/C9H7F/c10-9-5-4-7-2-1-3-8(7)6-9/h1-2,4-6H,3H2
InChIKey
FSLIIWBFAARILH-UHFFFAOYSA-N
Compound name
6-fluoro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

134.05318 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.060456 122.0
[M+Na]+ 157.042398 132.0
[M-H]- 133.045904 125.9
[M+NH4]+ 152.087003 147.1
[M+K]+ 173.016338 129.0
[M+H-H2O]+ 117.050440 116.4
[M+HCOO]- 179.051381 146.4
[M+CH3COO]- 193.067031 137.3
[M+Na-2H]- 155.027846 129.8
[M]+ 134.05263142 120.8
[M]- 134.05372858 120.8
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