CID 15470790

245762-36-1

Structural Information

Molecular Formula
C9H7FO2
SMILES
C1COC2=C1C=C(C=C2C=O)F
InChI
InChI=1S/C9H7FO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h3-5H,1-2H2
InChIKey
PSKHGYXPIDMLIX-UHFFFAOYSA-N
Compound name
5-fluoro-2,3-dihydro-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

166.04301 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05029 128.5
[M+Na]+ 189.03223 138.6
[M-H]- 165.03573 132.9
[M+NH4]+ 184.07683 151.0
[M+K]+ 205.00617 137.1
[M+H-H2O]+ 149.04027 123.0
[M+HCOO]- 211.04121 151.0
[M+CH3COO]- 225.05686 177.1
[M+Na-2H]- 187.01768 135.5
[M]+ 166.04246 129.0
[M]- 166.04356 129.0
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