CID 17985459

555155-08-3

Structural Information

Molecular Formula
C9H5FO2
SMILES
C1=COC2=C(C=C(C=C21)F)C=O
InChI
InChI=1S/C9H5FO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-5H
InChIKey
RLODNYXKDQOEOJ-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

164.02736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03464 125.5
[M+Na]+ 187.01658 137.7
[M-H]- 163.02008 130.7
[M+NH4]+ 182.06118 148.4
[M+K]+ 202.99052 135.9
[M+H-H2O]+ 147.02462 120.0
[M+HCOO]- 209.02556 151.0
[M+CH3COO]- 223.04121 176.6
[M+Na-2H]- 185.00203 134.5
[M]+ 164.02681 129.0
[M]- 164.02791 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

No literature data available for this compound.

Patent stripe

patents stripe